5EZH
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 21 at 1.7A resolution
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 | 2013-12-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97943 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.410, 121.410, 33.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.710 - 1.700 |
R-factor | 0.1959 |
Rwork | 0.194 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t56 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.347 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.850 | 85.850 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.051 | 0.023 | 0.815 |
Rpim | 0.015 | 0.007 | 0.236 |
Total number of observations | 359919 | 3823 | 26001 |
Number of reflections | 28584 | ||
<I/σ(I)> | 28.4 | 67.2 | 3.9 |
Completeness [%] | 100.0 | 99.3 | 99.9 |
Redundancy | 12.6 | 9.6 | 12.6 |
CC(1/2) | 1.000 | 1.000 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Ammonium sulphate, Glycerol, MES |