5M7P
Crystal structure of NtrX from Brucella abortus in complex with ADP 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 | 2015-09-01 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 116.979, 190.840, 111.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.870 - 2.360 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.22900 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.070 |
| 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] | 29.870 | 2.490 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.069 | 0.746 |
| Rmeas | 0.077 | |
| Rpim | 0.034 | |
| Number of reflections | 51562 | |
| <I/σ(I)> | 14.7 | 2 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 4.8 | 4.8 |
| CC(1/2) | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.36 M sodium formate |
