5F0H
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A 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 | 120.350, 120.350, 33.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.820 - 1.990 |
R-factor | 0.1991 |
Rwork | 0.198 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t56 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.080 |
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] | 53.820 | 53.820 | 2.040 |
High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
Rmerge | 0.065 | 0.023 | 0.707 |
Rpim | 0.019 | 0.008 | 0.206 |
Total number of observations | 223127 | 2382 | 15859 |
Number of reflections | 17617 | ||
<I/σ(I)> | 25.7 | 65.1 | 4.3 |
Completeness [%] | 99.9 | 98.8 | 99.6 |
Redundancy | 12.7 | 9.3 | 12.7 |
CC(1/2) | 1.000 | 0.999 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Ammonium sulphate, Glycerol, MES |