4D6Y
Crystal structure of the receiver domain of NtrX from Brucella abortus in complex with beryllofluoride and magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 30.395, 39.343, 52.961 |
| Unit cell angles | 97.30, 96.97, 89.97 |
Refinement procedure
| Resolution | 19.990 - 1.700 |
| R-factor | 0.1847 |
| Rwork | 0.184 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d6x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.020 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 25833 | |
| <I/σ(I)> | 9.9 | 3.4 |
| Completeness [%] | 97.2 | 95.8 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PROTEIN WAS CRYSTALLIZED FROM 22% PEG 400; 0.1 M MES, PH 6.9; 5 MM MGCL2, 5 MM BEF3 |
