6EW3
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
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 | 2014-12-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92819 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.480, 78.910, 67.460 |
Unit cell angles | 90.00, 130.48, 90.00 |
Refinement procedure
Resolution | 51.312 - 2.140 |
R-factor | 0.1711 |
Rwork | 0.169 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz3 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.541 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | REFMAC |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.320 | 2.200 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.112 | 0.517 |
Rmeas | 0.154 | 0.707 |
Rpim | 0.106 | 0.479 |
Number of reflections | 22190 | 1632 |
<I/σ(I)> | 8.7 | 2.1 |
Completeness [%] | 98.2 | 98.4 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.982 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1mM TCEP, 10mM ML302, 50mM HEPES pH 7.5, 100mM NaCl, 0.1mM ZnCl2, 0.1M magnesium formate, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |