4UA4
Structure of the VIM-2 Metallo-beta-Lactamase in Complex with a Bisthiazolidine Inhibitor
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 | 2013-05-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.888, 61.404, 68.918 |
| Unit cell angles | 90.00, 100.87, 90.00 |
Refinement procedure
| Resolution | 67.680 - 1.250 |
| R-factor | 0.14545 |
| Rwork | 0.144 |
| R-free | 0.16427 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ko3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.459 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.640 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.040 | 0.395 |
| Number of reflections | 115461 | |
| <I/σ(I)> | 11.1 | 2.3 |
| Completeness [%] | 96.7 | 91.8 |
| Redundancy | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 293 | 0.1 M Bicine pH 9.0; 65 % 2-methyl-2,4-pentandiol |
