7CHV
Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 195 |
Detector technology | PIXEL |
Collection date | 2019-05-09 |
Detector | DECTRIS PILATUS3 X CdTe 1M |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.655, 78.891, 79.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.327 - 2.174 |
R-factor | 0.2566 |
Rwork | 0.245 |
R-free | 0.36350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jn6 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.276 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.170 | 5.970 | 2.200 |
Rmerge | 0.226 | 0.146 | 1.001 |
Rmeas | 0.240 | 0.157 | 1.067 |
Rpim | 0.078 | 0.056 | 0.364 |
Number of reflections | 11610 | 638 | 569 |
<I/σ(I)> | 3.7 | ||
Completeness [%] | 99.9 | 99.4 | 99.8 |
Redundancy | 10 | 9.1 | 8.2 |
CC(1/2) | 0.895 | 0.564 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28%-35%PEG3350, 0.1M Mg(COOH)2 |