6VWE
Crystal structure of the D100R multidrug binding transcriptional regulator LmrR in complex with Rhodium Bis-diphosphine Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.95369 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.855, 35.619, 71.651 |
Unit cell angles | 90.00, 95.92, 90.00 |
Refinement procedure
Resolution | 35.630 - 2.500 |
R-factor | 0.213 |
Rwork | 0.209 |
R-free | 0.28010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6do0 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.252 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_3758: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.630 | 2.630 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.040 | 0.821 |
Rmeas | 0.045 | 0.927 |
Rpim | 0.021 | |
Number of reflections | 8942 | 1282 |
<I/σ(I)> | 16.3 | |
Completeness [%] | 98.3 | 98.7 |
Redundancy | 4.7 | 4.7 |
CC(1/2) | 0.999 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 296 | 0.15 M Ammonium fluoride; 18% PEG 3350; |