2Y8A
VIM-7 with Oxidised. 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 | 70.138, 70.138, 47.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.330 |
| R-factor | 0.19338 |
| Rwork | 0.187 |
| R-free | 0.25405 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.106 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.110 | 0.500 |
| Number of reflections | 10017 | |
| <I/σ(I)> | 8.1 | 2.2 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 4.5 | 3.9 |
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 |
