5N5G
Crystal structure of di-zinc metallo-beta-lactamase VIM-1
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 | 2012-10-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.760, 67.940, 40.360 |
Unit cell angles | 90.00, 94.01, 90.00 |
Refinement procedure
Resolution | 34.253 - 1.292 |
R-factor | 0.1451 |
Rwork | 0.144 |
R-free | 0.15630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wgh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.260 | 1.310 |
High resolution limit [Å] | 1.290 | 1.290 |
Rpim | 0.039 | 0.326 |
Number of reflections | 53183 | |
<I/σ(I)> | 12.5 | 2.9 |
Completeness [%] | 99.3 | 98.7 |
Redundancy | 3.6 | 3.4 |
CC(1/2) | 0.997 | 0.763 |
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 |