Caesium in PDB 7bmw: P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)

The structure of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant), PDB code: 7bmw 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)	42.12 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	40.25, 101.76, 75.1, 90, 90, 90
R / Rfree (%)	19.8 / 22.1

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

Chlorine

(Cl)

2 atoms

The binding sites of Caesium atom in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) (pdb code 7bmw). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant), PDB code: 7bmw:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs201 b:72.2 occ:0.45 O A:SER56 3.0 24.5 1.0 CL A:CL206 3.7 60.2 1.0 CG2 A:VAL59 3.8 26.1 1.0 O A:ALA57 3.9 30.4 1.0 C A:SER56 4.3 30.1 1.0 C A:ALA57 4.3 30.1 1.0 C A:LYS58 4.7 26.5 1.0 N A:LYS58 4.7 27.0 1.0 N A:VAL59 4.7 24.3 1.0 CA A:LYS58 4.8 28.5 1.0 CA A:ALA57 4.9 26.5 1.0 N A:SER56 4.9 25.8 1.0

Caesium binding site 2 out of 5 in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs202 b:84.7 occ:0.41 O A:HOH350 2.8 45.8 1.0 O A:ARG5 3.0 50.6 1.0 OE2 A:GLU93 3.2 38.7 1.0 O A:HOH335 3.6 45.9 1.0 O A:HOH327 3.8 50.5 1.0 CD A:GLU93 3.9 37.3 1.0 O A:HOH392 4.2 46.1 1.0 C A:ARG5 4.2 43.8 1.0 CG A:GLU93 4.5 32.7 1.0 OE1 A:GLU93 4.7 38.0 1.0 N A:ARG5 4.7 37.4 1.0

Caesium binding site 3 out of 5 in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs203 b:101.7 occ:0.27 O A:GLN79 2.9 41.4 1.0 O A:HOH382 3.0 62.4 1.0 OH A:TYR10 3.1 41.8 1.0 O A:HOH357 3.8 64.6 1.0 O A:HOH349 3.8 32.9 1.0 CD2 A:TYR80 4.0 51.1 1.0 C A:GLN79 4.1 45.3 1.0 CZ A:TYR10 4.2 37.6 1.0 CE2 A:TYR80 4.2 59.5 1.0 CE A:LYS11 4.2 70.5 1.0 NZ A:LYS11 4.4 79.4 1.0 CE1 A:TYR10 4.4 35.0 1.0 CA A:TYR80 4.5 35.6 1.0 CG A:TYR80 4.6 45.5 1.0 N A:TYR80 4.8 37.0 1.0 CZ A:TYR80 4.9 56.1 1.0 N A:GLN79 5.0 50.0 1.0

Caesium binding site 4 out of 5 in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs204 b:128.7 occ:0.42 O A:HOH347 3.0 41.4 1.0 O A:ASP44 3.4 49.2 1.0 NH1 A:ARG66 3.8 79.0 1.0 C A:ASP44 4.3 48.8 1.0 CA A:ASP44 4.5 47.9 1.0

Caesium binding site 5 out of 5 in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs205 b:86.0 occ:0.27 OE1 A:GLN7 2.9 52.1 1.0 O A:HOH366 2.9 46.4 1.0 OG1 A:THR85 3.2 32.0 1.0 O A:THR85 3.4 29.6 1.0 OE2 A:GLU14 3.7 93.9 1.0 CB A:THR85 3.7 32.1 1.0 C A:THR85 3.8 28.2 1.0 O A:HOH373 4.0 62.6 1.0 CD A:GLN7 4.0 54.5 1.0 N A:HIS86 4.4 32.5 1.0 CB A:GLN7 4.4 38.6 1.0 CA A:THR85 4.5 29.8 1.0 CD A:GLU14 4.5 80.9 1.0 CA A:HIS86 4.6 33.5 1.0 CG A:GLN7 4.6 47.4 1.0 O A:HOH324 4.6 37.1 1.0 OE1 A:GLU14 4.7 90.8 1.0 O A:HOH326 4.8 53.4 1.0 CD A:PRO87 4.9 41.2 1.0 CG2 A:THR85 5.0 34.0 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