5F1J
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 1 at 1.63A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 121.810, 121.810, 33.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.780 - 1.631 |
| R-factor | 0.1982 |
| Rwork | 0.197 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.273 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.066 | 43.066 | 1.670 |
| High resolution limit [Å] | 1.631 | 7.290 | 1.630 |
| Rmerge | 0.036 | 0.700 | |
| Rmeas | 0.070 | ||
| Rpim | 0.019 | 0.012 | 0.259 |
| Total number of observations | 424257 | 4750 | 20912 |
| Number of reflections | 32327 | ||
| <I/σ(I)> | 23 | 49.2 | 2.9 |
| Completeness [%] | 99.8 | 98.6 | 99.8 |
| Redundancy | 13.1 | 10.7 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Ammonium sulphate, Glycerol, MES |
