2Y87
Native VIM-7. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 |
| Unit cell lengths | 70.399, 70.399, 47.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.860 |
| R-factor | 0.16531 |
| Rwork | 0.160 |
| R-free | 0.21011 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ko3 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.685 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 1.960 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.060 | 0.280 |
| Number of reflections | 19415 | |
| <I/σ(I)> | 14.9 | 4 |
| Completeness [%] | 97.4 | 82.2 |
| Redundancy | 5.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 22.5-23.5% POLYETHYLENE GLYCOL MONOMETHYL ETHERS (PEG MME) 2K, 0.1 M CALCIUM ACETATE, 0.1 M SODIUM CACODYLATE PH 5.0, 8 MM BETA-MERCAPTOETHANOL |
