2OQR
The structure of the response regulator RegX3 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.813 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 124.351, 124.351, 44.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.970 - 2.030 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.21700 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.548 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.970 | 2.060 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.076 | 0.664 |
Number of reflections | 23179 | |
<I/σ(I)> | 32 | 4 |
Completeness [%] | 99.9 | 97.7 |
Redundancy | 12.1 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0.2 M Calcium Acetate, 2-4% PEG 4000, 0.1 M Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |