8PGW
Crystal structure of the metallo-beta-lactamase VIM1 with 3460
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-16 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.81564 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.430, 68.040, 40.340 |
Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
Resolution | 40.260 - 1.500 |
R-factor | 0.152 |
Rwork | 0.151 |
R-free | 0.17820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.930 |
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] | 40.260 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.083 | 0.771 |
Rmeas | 0.090 | 0.833 |
Rpim | 0.034 | 0.313 |
Number of reflections | 34097 | 2511 |
<I/σ(I)> | 13.1 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 7 |
CC(1/2) | 0.999 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | ammonium |