5MYW
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-07 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.528, 121.528, 33.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.706 - 1.770 |
R-factor | 0.1773 |
Rwork | 0.176 |
R-free | 0.19830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t56 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.761 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.764 | 60.764 | 1.860 |
High resolution limit [Å] | 1.770 | 5.590 | 1.770 |
Rmerge | 0.039 | 1.340 | |
Rmeas | 0.083 | 0.042 | 1.437 |
Rpim | 0.024 | 0.013 | 0.394 |
Total number of observations | 316819 | ||
Number of reflections | 25356 | ||
<I/σ(I)> | 19.1 | 13.6 | 0.6 |
Completeness [%] | 99.7 | 99.8 | 99.5 |
Redundancy | 12.5 | 10.4 | 12.9 |
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 |