7NGU
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
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 | 2019-05-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.968, 121.968, 33.728 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.060 - 1.260 |
R-factor | 0.1909 |
Rwork | 0.190 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nio |
RMSD bond length | 0.016 |
RMSD bond angle | 1.978 |
Data reduction software | Aimless |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.060 | 1.280 |
High resolution limit [Å] | 1.260 | 1.260 |
Number of reflections | 67886 | 2552 |
<I/σ(I)> | 15.3 | 1 |
Completeness [%] | 98.0 | |
Redundancy | 12.3 | |
CC(1/2) | 0.999 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 300 | PEG based |