6KXO
Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor NO9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AichiSR BEAMLINE BL2S1 |
| Synchrotron site | AichiSR |
| Beamline | BL2S1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-05-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.501, 79.210, 67.660 |
| Unit cell angles | 90.00, 130.13, 90.00 |
Refinement procedure
| Resolution | 51.487 - 1.490 |
| Rwork | 0.146 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nq2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.599 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.430 | 1.570 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.079 | 0.319 |
| Number of reflections | 66587 | 9647 |
| <I/σ(I)> | 15.3 | |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 7.1 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M magnesium formate dihydrate, 25% PEG 3350 |
