5MWO
Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7E8.
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 | 121.927, 121.927, 33.728 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.215 - 1.962 |
| R-factor | 0.2012 |
| Rwork | 0.198 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.835 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 121.930 | 121.930 | 2.070 |
| High resolution limit [Å] | 1.960 | 6.200 | 1.960 |
| Rmerge | 0.193 | 0.040 | 1.479 |
| Rmeas | 0.202 | 0.042 | 1.539 |
| Rpim | 0.056 | 0.012 | 0.424 |
| Total number of observations | 236428 | ||
| Number of reflections | 18535 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 98.2 | 100 | 100 |
| Redundancy | 12.8 | 11 | 12.9 |
| CC(1/2) | 0.998 | 0.999 | 0.389 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.7 to 2.1 M ammonium sulfate 0.1 M MES (pH 6 to 7) 5 to 15%(v/v) glycerol 7 to 12%(v/v) 1,4-dioxane |
