6KZL
Crystal Structure Of NDM-1 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 | P 21 21 21 |
| Unit cell lengths | 70.720, 74.040, 77.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.513 - 1.763 |
| Rwork | 0.148 |
| R-free | 0.19160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eyb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.365 |
| 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] | 77.430 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.120 | 0.474 |
| Number of reflections | 40824 | 5859 |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 10.3 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Ammonium Sulfate, 0.1M Bis-Tris [pH 6.1], 25% PEG 3350 |
