7A5Z
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
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 | 2018-07-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9159 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.647, 74.680, 78.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.880 - 1.290 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.15830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz3 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.18) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.970 | 1.310 |
High resolution limit [Å] | 1.290 | 1.290 |
Rpim | 0.032 | |
Number of reflections | 48222 | 2353 |
<I/σ(I)> | 13.8 | 1.3 |
Completeness [%] | 100.0 | |
Redundancy | 12.8 | |
CC(1/2) | 0.991 | 0.629 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Magnesium Chloride, 35% PEG 8000, Tris HCl |