6Z74
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum
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 | 2014-11-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.170, 113.660, 130.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.640 - 2.000 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21500 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.640 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | |
| Rpim | 0.054 | |
| Number of reflections | 78344 | 12280 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.998 | 0.981 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | PEG 4000, AS, Na-citrate |
