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 |