6OGO
Crystal structure of NDM-9 metallo-beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.72931 |
| Spacegroup name | P 31 |
| Unit cell lengths | 122.929, 122.929, 38.501 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.460 - 1.430 |
| R-factor | 0.07461 |
| Rwork | 0.074 |
| R-free | 0.11632 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q6x |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.758 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.460 | 1.520 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.083 | 0.738 |
| Rmeas | 0.088 | 0.782 |
| Number of reflections | 120161 | 19202 |
| <I/σ(I)> | 16.5 | 2.6 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 9.2 | 9.1 |
| CC(1/2) | 0.990 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 292 | 0.2M NaCl, 0.1M Phosphate/citrate pH 4.2, 20% w/v PEG 8000 |
