5LSC
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.624, 79.255, 67.200 |
| Unit cell angles | 90.00, 130.50, 90.00 |
Refinement procedure
| Resolution | 38.255 - 1.497 |
| R-factor | 0.137 |
| Rwork | 0.136 |
| R-free | 0.16550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ko3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.233 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.255 | 1.520 |
| High resolution limit [Å] | 1.497 | 1.497 |
| Rmerge | 0.048 | 0.309 |
| Number of reflections | 63893 | |
| <I/σ(I)> | 18.8 | 4.3 |
| Completeness [%] | 99.1 | 93.3 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 22-27% PEG 3350, 0.2 M magnesium formate |
