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 |
