Xenon in PDB 2a7b: On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength

The structure of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength, PDB code: 2a7b was solved by C.Mueller-Dieckmann, S.Panjikar, P.A.Tucker, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.430, 53.760, 66.770, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.8

The binding sites of Xenon atom in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength (pdb code 2a7b). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 2 binding sites of Xenon where determined in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength, PDB code: 2a7b:
Jump to Xenon binding site number: 1; 2;

Xenon binding site 1 out of 2 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe901 b:12.5 occ:0.32 CD1 A:ILE735 2.8 27.8 0.8 CG1 A:ILE735 3.0 19.7 0.8 CG2 A:ILE778 3.6 16.7 1.0 OE1 A:GLN780 3.7 13.9 1.0 CB A:GLN780 3.8 14.1 1.0 CG2 A:ILE735 3.9 8.0 0.2 CE2 A:PHE748 4.0 15.2 1.0 O A:ILE778 4.0 16.0 1.0 CB A:ALA737 4.0 14.6 1.0 CB A:PHE750 4.1 11.8 1.0 CB A:ILE778 4.1 16.2 1.0 CB A:ILE735 4.2 13.2 0.2 C A:ILE778 4.4 15.1 1.0 CB A:ILE735 4.5 16.4 0.8 N A:ALA737 4.5 14.7 1.0 N A:GLN780 4.5 14.1 1.0 CG A:PHE750 4.5 12.4 1.0 CD2 A:PHE748 4.6 14.1 1.0 CD A:GLN780 4.6 14.5 1.0 O A:HOH1 4.6 14.0 1.0 CD1 A:ILE735 4.7 2.0 0.2 C A:THR779 4.7 15.4 1.0 O A:ILE735 4.7 13.9 1.0 CD1 A:PHE750 4.8 12.2 1.0 CA A:GLN780 4.8 13.2 1.0 CG A:GLN780 4.8 13.3 1.0 CZ A:PHE748 4.9 12.9 1.0 CA A:ALA737 4.9 13.9 1.0 C A:ILE735 4.9 14.7 1.0 CA A:ILE778 4.9 16.2 1.0 N A:THR779 4.9 15.3 1.0 O A:HOH16 5.0 15.6 1.0

Xenon binding site 2 out of 2 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe902 b:22.2 occ:0.10 O A:HOH50 1.1 16.1 1.0 CD1 A:LEU810 3.5 29.6 1.0 O A:ARG795 3.6 14.9 1.0 CB A:ARG795 3.8 13.8 1.0 CG A:ARG795 3.8 20.0 1.0 C A:ARG795 3.9 14.1 1.0 CD A:ARG795 4.0 24.2 1.0 CB A:LYS797 4.1 14.6 1.0 C A:ILE796 4.2 11.9 1.0 CB A:ALA753 4.2 13.5 1.0 N A:LYS797 4.3 11.8 1.0 N A:ILE796 4.3 11.9 1.0 O A:ILE796 4.4 13.1 1.0 NE A:ARG795 4.5 29.6 1.0 CA A:ILE796 4.5 12.5 1.0 N A:ALA753 4.5 13.3 1.0 NH1 A:ARG795 4.5 22.1 1.0 CA A:ARG795 4.5 12.7 1.0 CZ A:ARG795 4.7 16.4 1.0 CA A:LYS797 4.8 12.4 1.0 C A:ALA752 4.8 13.5 1.0 CD A:LYS797 4.9 19.0 1.0 CA A:ALA752 4.9 12.0 1.0

C.Mueller-Dieckmann, S.Panjikar, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part III. the Optimal Data-Collection Wavelength. Acta Crystallogr.,Sect.D V. 61 1263 2005.
ISSN: ISSN 0907-4449
PubMed: 16131760
DOI: 10.1107/S0907444905021475