4W1U
Crystal structure of Rv3557c/KstR2, a transcriptional repressor involved in cholesterol metabolism in Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 203 |
Detector technology | IMAGE PLATE |
Collection date | 2009-11-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.356, 90.292, 49.693 |
Unit cell angles | 90.00, 128.21, 90.00 |
Refinement procedure
Resolution | 26.600 - 1.875 |
R-factor | 0.1731 |
Rwork | 0.172 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ibd |
RMSD bond length | 0.007 |
RMSD bond angle | 0.926 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.113 | 26.600 | 1.960 |
High resolution limit [Å] | 1.860 | 5.890 | 1.860 |
Rmerge | 0.025 | 0.392 | |
Rmeas | 0.050 | ||
Rpim | 0.020 | 0.011 | 0.171 |
Total number of observations | 124168 | 4138 | 14882 |
Number of reflections | 19815 | ||
<I/σ(I)> | 25.1 | 62 | 4.5 |
Completeness [%] | 94.3 | 96.8 | 80 |
Redundancy | 6.3 | 6.2 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 291 | 0.2 M citric acid, 14% MPEG 5000 |