5ZR8
Crystal Structure Of NDM-1 Metallo-beta-lactamase
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 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.080, 73.900, 77.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.560 - 1.500 |
| R-factor | 0.1474 |
| Rwork | 0.146 |
| R-free | 0.16784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eyb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.443 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.560 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.083 | 0.439 |
| Number of reflections | 66267 | 9562 |
| <I/σ(I)> | 18.6 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.6 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Ammonium Sulfate, 0.1 M Bis-Tris [pH 6.1], 25% PEG 3350 |
