6KZN
Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor X2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.960, 79.150, 77.740 |
| Unit cell angles | 90.00, 138.40, 90.00 |
Refinement procedure
| Resolution | 39.606 - 1.500 |
| Rwork | 0.155 |
| R-free | 0.18290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nq2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.450 |
| 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] | 55.460 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.079 | 0.160 |
| Number of reflections | 65271 | 9533 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M magnesium formate dihydrate, 25% PEG 3350 |
