5F27
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 2 at 1.68A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9765 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 120.170, 120.170, 33.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.487 - 1.684 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.842 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 84.973 | 42.487 | 1.780 |
| High resolution limit [Å] | 1.684 | 5.330 | 1.680 |
| Rmerge | 0.055 | 0.286 | |
| Rmeas | 0.081 | ||
| Rpim | 0.028 | 0.023 | 0.102 |
| Total number of observations | 238221 | 4979 | 32598 |
| Number of reflections | 27668 | ||
| <I/σ(I)> | 18.3 | 23.4 | 7 |
| Completeness [%] | 97.3 | 74.1 | 97.2 |
| Redundancy | 8.6 | 6.5 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Ammonium sulphate, Glycerol, MES |
