5MYM
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK2032710A at 2.28A 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 | 2016-12-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 86.622, 56.481, 98.188 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 98.188 - 2.280 |
| R-factor | 0.1776 |
| Rwork | 0.175 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.985 |
| Data reduction software | XDS |
| Data scaling software | SCALA (0.5.15) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 98.190 | 98.190 | 2.400 |
| High resolution limit [Å] | 2.280 | 7.200 | 2.280 |
| Rmerge | 0.069 | 0.024 | 0.551 |
| Rmeas | 0.082 | 0.029 | 0.656 |
| Rpim | 0.044 | 0.016 | 0.352 |
| Total number of observations | 146825 | ||
| Number of reflections | 43150 | ||
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 98.7 | 97.8 | 98.5 |
| Redundancy | 3.4 | 3.2 | 3.4 |
| CC(1/2) | 0.998 | 0.999 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.02M Sodium/potassium phosphate 20% w/v PEG 3350 |
