5MYT
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK921295A at 1.61A 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 | 121.167, 121.167, 33.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.316 - 1.610 |
| R-factor | 0.1688 |
| Rwork | 0.168 |
| R-free | 0.17850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.752 |
| 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] | 38.316 | 38.316 | 1.700 |
| High resolution limit [Å] | 1.610 | 5.090 | 1.610 |
| Rmerge | 0.041 | 1.494 | |
| Rmeas | 0.096 | 0.044 | 1.691 |
| Rpim | 0.028 | 0.013 | 0.577 |
| Total number of observations | 375730 | ||
| Number of reflections | 32287 | ||
| <I/σ(I)> | 20.3 | 12 | 0.5 |
| Completeness [%] | 97.5 | 99.6 | 84.1 |
| Redundancy | 11.6 | 10.8 | 7.7 |
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 |
