6DO0
Crystal structure of the 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 | 2018-04-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.95 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.645, 35.569, 71.259 |
Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
Resolution | 39.068 - 2.798 |
R-factor | 0.2366 |
Rwork | 0.231 |
R-free | 0.32270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f8b |
RMSD bond length | 0.011 |
RMSD bond angle | 1.752 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.070 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.056 | 0.359 |
Rpim | 0.034 | 0.212 |
Number of reflections | 6343 | 922 |
<I/σ(I)> | 12.9 | 2.2 |
Completeness [%] | 98.3 | 97.7 |
Redundancy | 3.7 | 3.7 |
CC(1/2) | 0.982 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | 0.2 M Ammonium acetate in 0.1 M Sodium citrate (pH 6.5), 22% w/v PEG 4000, and 1 mM sodium dithionite |