5A87
Crystal structure of the metallo-beta-lactamase VIM-5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-21 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.270, 78.960, 64.030 |
Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
Resolution | 39.900 - 1.500 |
R-factor | 0.1552 |
Rwork | 0.154 |
R-free | 0.19150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PBP ENTRY 2WRS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.166 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.900 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.130 | 1.500 |
Number of reflections | 61767 | |
<I/σ(I)> | 9.7 | 1.2 |
Completeness [%] | 97.4 | 96.6 |
Redundancy | 7.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M TRIS (PH 8.5), 25% PEG 3350, 0.2 M NACL |