4BZ3
Crystal structure of the metallo-beta-lactamase VIM-2
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 | 2013-04-29 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.955, 79.689, 68.171 |
Unit cell angles | 90.00, 130.56, 90.00 |
Refinement procedure
Resolution | 39.844 - 1.294 |
R-factor | 0.1131 |
Rwork | 0.113 |
R-free | 0.13750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ko3 |
RMSD bond length | 0.025 |
RMSD bond angle | 1.239 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.110 | 0.250 |
Number of reflections | 101604 | |
<I/σ(I)> | 10.9 | 3.5 |
Completeness [%] | 98.2 | 97 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M MAGNESIUM FORMATE, 20 % W/V PEG3350, 1 MM TCEP |