4RVS
The native structure of mycobacterial quinone oxidoreductase Rv154c.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97930 |
Spacegroup name | H 3 |
Unit cell lengths | 83.518, 83.518, 273.137 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.591 - 1.846 |
R-factor | 0.1701 |
Rwork | 0.170 |
R-free | 0.18170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qor |
RMSD bond length | 0.006 |
RMSD bond angle | 1.024 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.846 | 1.846 |
Rmerge | 0.070 | 0.169 |
Number of reflections | 60920 | |
<I/σ(I)> | 12.6 | 12.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Calcium chloride dehydrate, 0.1 M HEPES sodium pH 7.5, 28 % v/v PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 293K |