7NGN
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
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 | 2018-05-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.095, 121.095, 33.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.630 - 1.550 |
R-factor | 0.2039 |
Rwork | 0.203 |
R-free | 0.22960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nio |
RMSD bond length | 0.017 |
RMSD bond angle | 1.865 |
Data reduction software | pointless |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.630 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 37122 | 1794 |
<I/σ(I)> | 15.6 | 0.93 |
Completeness [%] | 99.8 | |
Redundancy | 12.7 | |
CC(1/2) | 1.000 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 300 | PEG based |