8P92
Crystal structure of the metallo-beta-lactamase VIM1 with 2117
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) | 0.9159 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.450, 67.820, 40.110 |
Unit cell angles | 90.00, 93.20, 90.00 |
Refinement procedure
Resolution | 28.900 - 1.040 |
R-factor | 0.1307 |
Rwork | 0.130 |
R-free | 0.15000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.415 |
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] | 34.060 | 1.070 |
High resolution limit [Å] | 1.040 | 1.040 |
Rmerge | 0.080 | 0.495 |
Rmeas | 0.087 | 0.554 |
Rpim | 0.034 | 0.245 |
Number of reflections | 100848 | 7425 |
<I/σ(I)> | 11.9 | 2.7 |
Completeness [%] | 99.9 | |
Redundancy | 6.3 | |
CC(1/2) | 0.997 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 2.2M ammonium phosphate 0.1M TrisHCl, pH 8.5 |