5EYR
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 5 at 1.57A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.920 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 120.885, 120.885, 33.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.440 - 1.570 |
R-factor | 0.1868 |
Rwork | 0.186 |
R-free | 0.20310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t56 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.860 |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.5.1) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.480 | 85.480 | 1.720 |
High resolution limit [Å] | 1.570 | 3.850 | 1.570 |
Rmerge | 0.051 | 0.018 | 1.001 |
Rpim | 0.015 | 0.005 | 0.277 |
Total number of observations | 463192 | 31650 | 109019 |
Number of reflections | 34875 | ||
<I/σ(I)> | 29.6 | 112.6 | 2.8 |
Completeness [%] | 97.8 | 98.6 | 94.5 |
Redundancy | 13.3 | 12.1 | 13.8 |
CC(1/2) | 1.000 | 1.000 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Ammonium Sulphate, glycerol, MES |