5N5I
Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.943, 68.084, 39.817 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.841 - 2.200 |
R-factor | 0.1561 |
Rwork | 0.153 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n5g |
RMSD bond length | 0.006 |
RMSD bond angle | 1.076 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.841 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.182 | 0.532 |
Number of reflections | 10547 | |
<I/σ(I)> | 8.5 | 4.2 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 5.8 | 5.7 |
CC(1/2) | 0.988 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.03 M MgCl2, 0.03 M CaCl2, 0.1 M MOPS pH 7.5, 0.1 M HEPES sodium salt pH 7.50, 12.5% w/v PEG 3350, 12.5% w/v PEG 1000, 12.5% w/v MPD |