8P8Z
Crystal structure of the metallo-beta-lactamase VIM1 with 1963
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.915870 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.444, 67.805, 40.174 |
Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
Resolution | 34.510 - 1.200 |
R-factor | 0.1264 |
Rwork | 0.126 |
R-free | 0.14190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.478 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.100 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.054 | 0.377 |
Rmeas | 0.409 | |
Rpim | 0.022 | 0.158 |
Number of reflections | 64898 | 3061 |
<I/σ(I)> | 19.4 | 4.5 |
Completeness [%] | 97.5 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 2.2M ammonium phosphate 0.1M Tris HCl, pH 8.5 |