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 |