5M7N
Crystal structure of NtrX from Brucella abortus in complex with ATP processed with the CrystalDirect automated mounting and cryo-cooling technology
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-03 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 116.867, 191.611, 111.702 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.840 - 2.900 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.840 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.181 | |
| Rmeas | 0.196 | |
| Rpim | 0.075 | |
| Number of reflections | 28263 | |
| <I/σ(I)> | 7.4 | 1.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.7 | 6.5 |
| CC(1/2) | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.36 M sodium formate |
