5NZ1
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with sutezolid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.858, 144.841, 150.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 104.442 - 2.330 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.942 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 150.740 | 150.740 | 2.460 |
| High resolution limit [Å] | 2.330 | 7.370 | 2.330 |
| Rmerge | 0.065 | 0.038 | 0.721 |
| Rmeas | 0.071 | 0.042 | 0.781 |
| Rpim | 0.028 | 0.017 | 0.298 |
| Total number of observations | 16663 | 79408 | |
| Number of reflections | 80962 | ||
| <I/σ(I)> | 15.9 | 40.2 | 2.4 |
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 6.6 | 6 | 6.8 |
| CC(1/2) | 0.998 | 0.997 | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 HEPES 25% PEG 550 MME |
