5J3L
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-((2-cyclopentylethyl)sulfonyl)pyrrolidine at 1.66A 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 | 2013-08-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 121.130, 121.130, 34.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.170 - 1.660 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.362 |
| 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] | 60.560 | 60.560 | 1.700 |
| High resolution limit [Å] | 1.660 | 7.420 | 1.660 |
| Rmerge | 0.051 | 0.018 | 0.711 |
| Rmeas | 0.053 | ||
| Rpim | 0.015 | ||
| Total number of observations | 396935 | ||
| Number of reflections | 30632 | ||
| <I/σ(I)> | 29.7 | ||
| Completeness [%] | 99.9 | 99.6 | 99.7 |
| Redundancy | 13 | 11.5 | 13.3 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Ammonium sulphate, Glycerol, MES |
