6HF5
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor
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 | 2018-04-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.292, 77.688, 79.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.320 - 1.800 |
R-factor | 0.187 |
Rwork | 0.184 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mxr |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.320 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.058 | |
Number of reflections | 19621 | 2800 |
<I/σ(I)> | 16.2 | 3.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M cacodylate, 0.2 M Na-acetate, 5 mM DTT, 26% PEG8000 |