5MXK
Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9.
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 | 2016-12-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 121.199, 121.199, 33.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.599 - 1.932 |
| R-factor | 0.1863 |
| Rwork | 0.184 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.758 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 121.200 | 121.200 | 2.040 |
| High resolution limit [Å] | 1.930 | 6.110 | 1.930 |
| Rmerge | 0.148 | 0.035 | 1.415 |
| Rmeas | 0.154 | 0.037 | 1.476 |
| Rpim | 0.043 | 0.011 | 0.417 |
| Total number of observations | 235062 | ||
| Number of reflections | 18585 | ||
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 95.0 | 99.9 | 100 |
| Redundancy | 12.6 | 11 | 12.4 |
| CC(1/2) | 0.999 | 1.000 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING 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 |
