5M7O
Crystal structure of NtrX from Brucella abortus processed with the CrystalDirect automated mounting and cryo-cooling technology
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 124.778, 191.228, 111.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.020 - 2.200 |
| R-factor | 0.22951 |
| Rwork | 0.227 |
| R-free | 0.26896 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.560 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.020 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.152 | |
| Rmeas | 0.167 | |
| Rpim | 0.070 | |
| Number of reflections | 67838 | |
| <I/σ(I)> | 8 | 0.8 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 5.6 | 5.4 |
| CC(1/2) | 0.226 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.36 M sodium formate |
