6KXI
Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor NO9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.550, 73.660, 77.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.624 - 1.380 |
| Rwork | 0.136 |
| R-free | 0.15730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eyb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.569 |
| 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] | 42.624 | 1.450 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.108 | 0.205 |
| Number of reflections | 83907 | 12092 |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12 | 12.1 |
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 |
