5UA2
Mycobacterium tuberculosis KstR in complex with a 26-bp DNA operator
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 60.365, 79.545, 77.124 |
Unit cell angles | 90.00, 106.81, 90.00 |
Refinement procedure
Resolution | 46.751 - 2.900 |
R-factor | 0.2312 |
Rwork | 0.230 |
R-free | 0.25560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cxg |
RMSD bond length | 0.005 |
RMSD bond angle | 0.699 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2219: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.760 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.185 | 0.803 |
Number of reflections | 15213 | |
<I/σ(I)> | 5 | 1.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.981 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 291 | 20% PEG 600, 0.2 M imidazole malate |