3TQH
Structure of the quinone oxidoreductase from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 52.911, 52.911, 221.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.980 - 2.440 |
| R-factor | 0.19804 |
| Rwork | 0.195 |
| R-free | 0.25382 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.115 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.480 |
| High resolution limit [Å] | 2.440 | 2.440 |
| <I/σ(I)> | 49 | 14.5 |
| Completeness [%] | 99.8 | 97.4 |
| Redundancy | 9.8 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 0.1 M citric acid 2.4 M ammonium sulfate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
