Chlorine in PDB 7bmx: P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)

The structure of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant), PDB code: 7bmx was solved by W.Koelmel, J.Kuper, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.56 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.274, 106.783, 75.319, 90, 90, 90
R / Rfree (%)	18.4 / 21.6

The structure of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) also contains other interesting chemical elements:

Caesium

(Cs)

8 atoms

The binding sites of Chlorine atom in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) (pdb code 7bmx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant), PDB code: 7bmx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:29.6 occ:0.96 O A:HOH356 2.6 31.7 1.0 NE A:ARG91 3.0 15.9 1.0 N A:GLY55 3.2 21.6 1.0 NH1 A:ARG91 3.5 15.3 1.0 CA A:PRO54 3.6 20.8 1.0 CZ A:ARG91 3.7 16.7 1.0 C A:PRO54 3.9 21.8 1.0 CB A:ARG91 4.0 16.5 1.0 CG A:ARG91 4.0 18.6 1.0 CS A:CS201 4.0 28.9 0.3 CD A:ARG91 4.1 18.9 1.0 CB A:PRO54 4.3 24.3 1.0 CA A:GLY55 4.3 21.4 1.0 CG2 A:VAL59 4.3 15.0 1.0 O A:HOH400 4.4 36.7 1.0 N A:PRO54 4.7 20.1 1.0 O A:PRO53 4.8 19.1 1.0 N A:SER56 4.8 16.2 1.0 C A:GLY55 4.9 18.5 1.0

Chlorine binding site 2 out of 2 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:37.0 occ:1.00 OD1 A:ASP99 3.4 23.2 1.0 O A:HOH306 3.8 32.2 1.0 CG A:ASP99 4.1 23.5 1.0 NH1 A:ARG98 4.4 22.1 1.0 OD2 A:ASP99 4.4 23.6 1.0 O A:HOH335 4.5 35.6 1.0 NE A:ARG98 4.8 20.2 1.0 CZ A:ARG98 4.9 21.5 1.0

W.Koelmel, J.Kuper, C.Kisker. Cesium Based Phasing of Macromolecules: A General Easy to Use Approach For Solving the Phase Problem. Sci Rep V. 11 17038 2021.
ISSN: ESSN 2045-2322
PubMed: 34426585
DOI: 10.1038/S41598-021-95186-1