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Calcium in PDB 4avs: Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component

Protein crystallography data

The structure of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component, PDB code: 4avs was solved by S.Kolstoe, S.P.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.479 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.966, 69.937, 102.347, 90.00, 96.97, 90.00
R / Rfree (%) 14.41 / 17.03

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component (pdb code 4avs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component, PDB code: 4avs:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 4avs

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Calcium binding site 1 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca206

b:11.3
occ:1.00
OD1 A:ASP138 2.4 14.9 1.0
O A:GLN137 2.4 11.7 1.0
OD1 A:ASN59 2.4 13.2 1.0
OE2 A:GLU136 2.4 12.5 1.0
OD1 A:ASP58 2.5 14.2 1.0
OXT A:N7P208 2.5 19.3 1.0
OE1 A:GLU136 2.6 13.2 1.0
OD2 A:ASP58 2.7 14.5 1.0
CD A:GLU136 2.9 11.8 1.0
CG A:ASP58 2.9 13.8 1.0
CG A:ASN59 3.4 12.9 1.0
C A:GLN137 3.5 11.7 1.0
C A:N7P208 3.6 22.2 1.0
CG A:ASP138 3.6 15.1 1.0
ND2 A:ASN59 3.8 14.0 1.0
CA A:ASP138 3.8 14.8 1.0
CA A:CA207 3.9 13.0 1.0
O A:N7P208 3.9 21.7 1.0
N A:ASP138 4.0 12.7 1.0
O A:HOH2091 4.2 11.0 1.0
CB A:ASP138 4.3 14.9 1.0
CG A:GLU136 4.4 11.5 1.0
N A:ASN59 4.4 10.8 1.0
CB A:ASP58 4.4 13.0 1.0
OD2 A:ASP138 4.5 16.9 1.0
CA A:GLN137 4.6 11.0 1.0
N A:GLN137 4.7 10.5 1.0
CB A:ASN59 4.7 11.7 1.0
ND2 A:ASN53 4.8 13.5 1.0
CA A:N7P208 4.8 26.2 1.0
CA A:ASN59 4.9 10.8 1.0

Calcium binding site 2 out of 10 in 4avs

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Calcium binding site 2 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca207

b:13.0
occ:1.00
O A:N7P208 2.3 21.7 1.0
OE1 A:GLN148 2.4 14.2 1.0
OE1 A:GLU136 2.4 13.2 1.0
O A:HOH2195 2.4 14.2 1.0
O A:HOH2196 2.5 19.3 1.0
OD2 A:ASP138 2.5 16.9 1.0
OD1 A:ASP138 2.6 14.9 1.0
CG A:ASP138 2.8 15.1 1.0
C A:N7P208 3.3 22.2 1.0
CD A:GLN148 3.4 14.7 1.0
CD A:GLU136 3.6 11.8 1.0
OXT A:N7P208 3.6 19.3 1.0
NE2 A:GLN148 3.7 17.6 1.0
CA A:CA206 3.9 11.3 1.0
CB A:ASP138 4.3 14.9 1.0
CB A:ASP145 4.3 16.6 1.0
CG A:GLU136 4.3 11.5 1.0
CB A:GLU136 4.4 10.4 1.0
O A:GLU136 4.4 11.0 1.0
OE2 A:GLU136 4.5 12.5 1.0
OD2 A:ASP145 4.5 20.2 1.0
CA A:N7P208 4.5 26.2 1.0
O A:GLN137 4.6 11.7 1.0
CG A:GLN148 4.7 13.0 1.0
O A:LYS143 4.8 17.6 1.0
C A:GLU136 4.8 10.0 1.0
C A:GLN137 4.8 11.7 1.0
N A:ASP138 4.8 12.7 1.0
CB A:N7P208 4.9 27.1 1.0
CA A:ASP138 4.9 14.8 1.0
O A:HOH2197 4.9 29.4 1.0
CG A:ASP145 4.9 18.3 1.0

Calcium binding site 3 out of 10 in 4avs

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Calcium binding site 3 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca206

b:7.2
occ:1.00
O B:N7P208 2.2 13.3 1.0
OE1 B:GLU136 2.4 6.1 1.0
O B:HOH2186 2.4 11.1 1.0
O B:HOH2183 2.4 7.6 1.0
OE1 B:GLN148 2.4 8.3 1.0
OD2 B:ASP138 2.5 7.5 1.0
OD1 B:ASP138 2.5 6.1 1.0
CG B:ASP138 2.8 6.4 1.0
C B:N7P208 3.3 13.5 1.0
CD B:GLN148 3.4 9.7 1.0
CD B:GLU136 3.6 6.1 1.0
OXT B:N7P208 3.7 9.7 1.0
NE2 B:GLN148 3.8 13.6 1.0
CA B:CA207 3.9 5.5 1.0
CB B:ASP138 4.3 6.0 1.0
CB B:ASP145 4.3 8.0 1.0
O B:HOH2248 4.3 34.2 1.0
CG B:GLU136 4.3 6.4 1.0
O B:GLU136 4.4 5.9 1.0
CB B:GLU136 4.4 5.2 1.0
CA B:N7P208 4.4 18.1 1.0
OE2 B:GLU136 4.5 7.1 1.0
OD2 B:ASP145 4.6 11.3 1.0
O B:GLN137 4.6 5.3 1.0
O B:HOH2112 4.6 37.9 1.0
CB B:N7P208 4.7 19.6 1.0
CG B:GLN148 4.8 8.2 1.0
O B:LYS143 4.8 8.1 1.0
C B:GLN137 4.8 4.7 1.0
N B:ASP138 4.8 5.1 1.0
C B:GLU136 4.8 4.5 1.0
O B:HOH2185 4.9 23.5 1.0
CA B:ASP138 4.9 5.9 1.0
CG B:ASP145 5.0 9.6 1.0

Calcium binding site 4 out of 10 in 4avs

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Calcium binding site 4 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca207

b:5.5
occ:1.00
OD1 B:ASP138 2.4 6.1 1.0
O B:GLN137 2.4 5.3 1.0
OD1 B:ASN59 2.4 6.5 1.0
OD1 B:ASP58 2.5 6.9 1.0
OXT B:N7P208 2.5 9.7 1.0
OE2 B:GLU136 2.5 7.1 1.0
OE1 B:GLU136 2.6 6.1 1.0
OD2 B:ASP58 2.7 8.9 1.0
CD B:GLU136 2.9 6.1 1.0
CG B:ASP58 2.9 7.1 1.0
CG B:ASN59 3.4 6.2 1.0
C B:GLN137 3.5 4.7 1.0
C B:N7P208 3.5 13.5 1.0
CG B:ASP138 3.6 6.4 1.0
ND2 B:ASN59 3.8 7.7 1.0
O B:N7P208 3.8 13.3 1.0
CA B:ASP138 3.8 5.9 1.0
CA B:CA206 3.9 7.2 1.0
N B:ASP138 4.0 5.1 1.0
O B:HOH2097 4.2 7.5 1.0
CB B:ASP138 4.3 6.0 1.0
CG B:GLU136 4.4 6.4 1.0
CB B:ASP58 4.4 7.0 1.0
N B:ASN59 4.4 6.1 1.0
O B:HOH2112 4.4 37.9 1.0
OD2 B:ASP138 4.5 7.5 1.0
CA B:GLN137 4.7 5.1 1.0
N B:GLN137 4.7 4.7 1.0
CB B:ASN59 4.7 6.4 1.0
CA B:N7P208 4.7 18.1 1.0
ND2 B:ASN53 4.8 6.6 1.0
CA B:ASN59 4.9 5.4 1.0
OD1 B:ASN53 5.0 6.6 1.0
CB B:N7P208 5.0 19.6 1.0
O B:HOH2183 5.0 7.6 1.0

Calcium binding site 5 out of 10 in 4avs

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Calcium binding site 5 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca206

b:8.1
occ:1.00
OD1 C:ASP138 2.4 9.6 1.0
OD1 C:ASN59 2.4 8.5 1.0
O C:GLN137 2.4 8.9 1.0
OD1 C:ASP58 2.4 10.3 1.0
OE2 C:GLU136 2.4 8.2 1.0
OXT C:N7P208 2.5 11.4 1.0
OE1 C:GLU136 2.6 8.8 1.0
OD2 C:ASP58 2.8 12.2 1.0
CD C:GLU136 2.9 8.6 1.0
CG C:ASP58 2.9 11.0 1.0
CG C:ASN59 3.4 8.2 1.0
C C:GLN137 3.5 8.2 1.0
C C:N7P208 3.5 13.8 1.0
CG C:ASP138 3.6 9.7 1.0
ND2 C:ASN59 3.8 9.5 1.0
CA C:ASP138 3.8 9.4 1.0
CA C:CA207 3.9 10.2 1.0
O C:N7P208 3.9 14.7 1.0
N C:ASP138 4.1 8.1 1.0
O C:HOH2093 4.2 9.3 1.0
CB C:ASP138 4.3 9.0 1.0
O C:HOH2107 4.4 32.0 1.0
CG C:GLU136 4.4 8.3 1.0
N C:ASN59 4.4 7.5 1.0
CB C:ASP58 4.4 10.0 1.0
OD2 C:ASP138 4.5 11.2 1.0
CB C:ASN59 4.7 8.8 1.0
CA C:GLN137 4.7 7.3 1.0
CA C:N7P208 4.7 17.5 1.0
N C:GLN137 4.7 7.1 1.0
ND2 C:ASN53 4.7 8.4 1.0
CB C:N7P208 4.9 19.2 1.0
CA C:ASN59 4.9 8.2 1.0
O C:HOH2188 5.0 10.3 1.0

Calcium binding site 6 out of 10 in 4avs

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Calcium binding site 6 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca207

b:10.2
occ:1.00
O C:N7P208 2.3 14.7 1.0
O C:HOH2188 2.4 10.3 1.0
OE1 C:GLU136 2.4 8.8 1.0
OE1 C:GLN148 2.4 10.4 1.0
O C:HOH2192 2.4 14.0 1.0
OD2 C:ASP138 2.5 11.2 1.0
OD1 C:ASP138 2.6 9.6 1.0
CG C:ASP138 2.8 9.7 1.0
C C:N7P208 3.3 13.8 1.0
CD C:GLN148 3.4 11.7 1.0
CD C:GLU136 3.6 8.6 1.0
OXT C:N7P208 3.7 11.4 1.0
NE2 C:GLN148 3.7 15.8 1.0
CA C:CA206 3.9 8.1 1.0
O C:HOH2189 4.2 39.6 1.0
CB C:ASP138 4.3 9.0 1.0
CB C:ASP145 4.3 13.1 1.0
O C:GLU136 4.3 7.5 1.0
CG C:GLU136 4.3 8.3 1.0
CB C:GLU136 4.4 7.4 1.0
CA C:N7P208 4.5 17.5 1.0
OD2 C:ASP145 4.5 17.1 1.0
OE2 C:GLU136 4.5 8.2 1.0
O C:GLN137 4.6 8.9 1.0
O C:HOH2191 4.6 41.6 1.0
CG C:GLN148 4.7 10.2 1.0
CB C:N7P208 4.8 19.2 1.0
C C:GLN137 4.8 8.2 1.0
O C:LYS143 4.8 12.8 1.0
C C:GLU136 4.8 6.8 1.0
N C:ASP138 4.8 8.1 1.0
O C:HOH2190 4.8 22.8 1.0
CA C:ASP138 4.9 9.4 1.0
CG C:ASP145 4.9 15.6 1.0

Calcium binding site 7 out of 10 in 4avs

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Calcium binding site 7 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca206

b:8.8
occ:1.00
O D:N7P208 2.3 14.3 1.0
OE1 D:GLU136 2.4 7.8 1.0
OE1 D:GLN148 2.4 10.1 1.0
O D:HOH2189 2.4 8.8 1.0
O D:HOH2190 2.4 13.4 1.0
OD2 D:ASP138 2.6 10.3 1.0
OD1 D:ASP138 2.6 8.4 1.0
CG D:ASP138 2.9 8.2 1.0
C D:N7P208 3.3 15.9 1.0
CD D:GLN148 3.4 10.2 1.0
CD D:GLU136 3.5 8.1 1.0
OXT D:N7P208 3.7 11.3 1.0
NE2 D:GLN148 3.8 14.2 1.0
CA D:CA207 3.9 6.7 1.0
CG D:GLU136 4.3 8.1 1.0
O D:HOH2201 4.3 49.9 1.0
CB D:ASP138 4.3 7.5 1.0
CB D:ASP145 4.3 10.9 1.0
CB D:GLU136 4.3 7.2 1.0
O D:GLU136 4.4 7.0 1.0
OE2 D:GLU136 4.5 7.7 1.0
CA D:N7P208 4.5 21.9 1.0
OD2 D:ASP145 4.6 15.1 1.0
O D:GLN137 4.6 6.9 1.0
O D:HOH2114 4.7 31.7 1.0
O D:HOH2191 4.7 32.1 1.0
CG D:GLN148 4.7 8.5 1.0
C D:GLN137 4.8 5.9 1.0
CB D:N7P208 4.8 23.6 1.0
N D:ASP138 4.8 6.1 1.0
O D:LYS143 4.8 11.0 1.0
C D:GLU136 4.8 6.0 1.0
CA D:ASP138 4.9 7.0 1.0
CG D:ASP145 5.0 13.2 1.0

Calcium binding site 8 out of 10 in 4avs

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Calcium binding site 8 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca207

b:6.7
occ:1.00
OD1 D:ASP138 2.3 8.4 1.0
O D:GLN137 2.4 6.9 1.0
OD1 D:ASN59 2.4 7.5 1.0
OE2 D:GLU136 2.5 7.7 1.0
OD1 D:ASP58 2.5 7.9 1.0
OXT D:N7P208 2.5 11.3 1.0
OE1 D:GLU136 2.6 7.8 1.0
OD2 D:ASP58 2.7 9.0 1.0
CD D:GLU136 2.9 8.1 1.0
CG D:ASP58 2.9 7.7 1.0
CG D:ASN59 3.4 7.5 1.0
C D:GLN137 3.5 5.9 1.0
C D:N7P208 3.6 15.9 1.0
CG D:ASP138 3.6 8.2 1.0
ND2 D:ASN59 3.8 8.4 1.0
CA D:ASP138 3.9 7.0 1.0
CA D:CA206 3.9 8.8 1.0
O D:N7P208 3.9 14.3 1.0
N D:ASP138 4.0 6.1 1.0
O D:HOH2114 4.1 31.7 1.0
O D:HOH2095 4.1 7.5 1.0
CB D:ASP138 4.3 7.5 1.0
CG D:GLU136 4.4 8.1 1.0
N D:ASN59 4.4 6.5 1.0
CB D:ASP58 4.5 8.1 1.0
OD2 D:ASP138 4.5 10.3 1.0
CA D:GLN137 4.7 6.2 1.0
CB D:ASN59 4.7 7.0 1.0
N D:GLN137 4.7 5.8 1.0
ND2 D:ASN53 4.8 7.5 1.0
CA D:N7P208 4.8 21.9 1.0
CA D:ASN59 4.9 6.5 1.0
OD1 D:ASN53 4.9 7.5 1.0

Calcium binding site 9 out of 10 in 4avs

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Calcium binding site 9 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca206

b:6.7
occ:1.00
OD1 E:ASP138 2.4 8.2 1.0
OD1 E:ASN59 2.4 6.2 1.0
O E:GLN137 2.4 7.2 1.0
OE2 E:GLU136 2.5 7.3 1.0
OXT E:N7P208 2.5 11.7 1.0
OD1 E:ASP58 2.5 9.4 1.0
OE1 E:GLU136 2.6 7.0 1.0
OD2 E:ASP58 2.7 12.1 1.0
CD E:GLU136 2.9 7.0 1.0
CG E:ASP58 2.9 10.0 1.0
CG E:ASN59 3.4 6.2 1.0
C E:GLN137 3.5 6.1 1.0
C E:N7P208 3.5 16.4 1.0
CG E:ASP138 3.6 8.3 1.0
ND2 E:ASN59 3.7 8.1 1.0
CA E:ASP138 3.8 8.7 1.0
CA E:CA207 3.9 8.0 1.0
O E:N7P208 3.9 14.3 1.0
N E:ASP138 4.0 7.2 1.0
O E:HOH2095 4.2 7.6 1.0
CB E:ASP138 4.3 8.7 1.0
CG E:GLU136 4.4 6.6 1.0
CB E:ASP58 4.4 9.2 1.0
N E:ASN59 4.4 5.9 1.0
OD2 E:ASP138 4.5 9.9 1.0
CB E:ASN59 4.7 6.8 1.0
CA E:GLN137 4.7 6.3 1.0
CA E:N7P208 4.7 22.9 1.0
N E:GLN137 4.7 5.8 1.0
O E:HOH2110 4.8 46.0 1.0
ND2 E:ASN53 4.8 8.6 1.0
CB E:N7P208 4.9 24.5 1.0
CA E:ASN59 4.9 6.1 1.0
OD1 E:ASN53 5.0 7.8 1.0

Calcium binding site 10 out of 10 in 4avs

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Calcium binding site 10 out of 10 in the Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Structure of N-Acetyl-L-Proline Bound to Serum Amyloid P Component within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca207

b:8.0
occ:1.00
O E:N7P208 2.3 14.3 1.0
OE1 E:GLU136 2.3 7.0 1.0
O E:HOH2183 2.4 8.5 1.0
OE1 E:GLN148 2.4 8.2 1.0
O E:HOH2185 2.4 12.9 1.0
OD2 E:ASP138 2.5 9.9 1.0
OD1 E:ASP138 2.5 8.2 1.0
CG E:ASP138 2.8 8.3 1.0
C E:N7P208 3.3 16.4 1.0
CD E:GLN148 3.5 9.2 1.0
CD E:GLU136 3.6 7.0 1.0
OXT E:N7P208 3.6 11.7 1.0
NE2 E:GLN148 3.8 13.0 1.0
CA E:CA206 3.9 6.7 1.0
CB E:ASP138 4.3 8.7 1.0
CG E:GLU136 4.3 6.6 1.0
CB E:ASP145 4.3 9.1 1.0
O E:GLU136 4.3 7.0 1.0
CB E:GLU136 4.4 6.0 1.0
O E:HOH2246 4.4 37.0 1.0
CA E:N7P208 4.4 22.9 1.0
OE2 E:GLU136 4.5 7.3 1.0
OD2 E:ASP145 4.5 12.6 1.0
O E:GLN137 4.6 7.2 1.0
O E:HOH2184 4.7 34.6 1.0
C E:GLN137 4.8 6.1 1.0
CB E:N7P208 4.8 24.5 1.0
O E:LYS143 4.8 9.5 1.0
CG E:GLN148 4.8 7.7 1.0
N E:ASP138 4.8 7.2 1.0
O E:HOH2186 4.8 22.9 1.0
C E:GLU136 4.8 5.5 1.0
CA E:ASP138 4.9 8.7 1.0
CG E:ASP145 5.0 10.7 1.0

Reference:

S.E.Kolstoe, M.C.Jenvey, A.Purvis, M.E.Light, D.Thompson, P.Hughes, M.B.Pepys, S.P.Wood. Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc) Acta Crystallogr.,Sect.D V. 70 2232 2014.
ISSN: ISSN 0907-4449
PubMed: 25084341
DOI: 10.1107/S1399004714013455
Page generated: Sat Jul 13 22:20:29 2024

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