4HQM
The crystal structure of QsrR-menadione complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 6 |
Unit cell lengths | 124.758, 124.758, 30.633 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.405 - 2.550 |
R-factor | 0.2846 |
Rwork | 0.284 |
R-free | 0.29620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.545 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.550 |
Number of reflections | 8886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M NaCl, 0.1 M Tris.HCl, pH 8.5, 25% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |