5NHZ
VIM-2_10b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.779, 90.872, 124.075 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.754 - 1.850 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mm9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.315 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 1.850 |
Number of reflections | 45000 |
<I/σ(I)> | 14.6 |
Completeness [%] | 99.9 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | 22-27% PEG 3350, 0.2 M magnesium formate |