5MXV
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.230, 121.230, 33.842 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.723 - 1.626 |
R-factor | 0.1712 |
Rwork | 0.170 |
R-free | 0.19190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t56 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.783 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 121.230 | 121.230 | 1.710 |
High resolution limit [Å] | 1.626 | 5.140 | 1.626 |
Rmerge | 0.044 | 1.035 | |
Rmeas | 0.099 | 0.045 | 1.126 |
Rpim | 0.020 | 0.010 | 0.326 |
Total number of observations | 713630 | ||
Number of reflections | 32415 | ||
<I/σ(I)> | 26.6 | 13.2 | 0.8 |
Completeness [%] | 100.0 | 99.9 | 99.9 |
Redundancy | 22 | 21.4 | 11.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.7 to 2.1 ammonium sulfate 0.1M MES (pH 6 to 7) 5 to 15%(v/v) glycerol 7 to 12%(v/v) 1,4-dioxane |