4TZB
Structure of NDM-Metallo-beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 120.244, 120.244, 89.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.052 - 2.029 |
| R-factor | 0.1798 |
| Rwork | 0.177 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zr9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.933 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.162 | |
| Number of reflections | 21343 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.6 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.007M CdCl2, NiCl2, MgCl2, CoCl2 0.1 M HEPES pH 7.5 14% PEG 3350 |
