5IOZ
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)cyclopentanecarboxamide at 2.02A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2013-12-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97943 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 121.830, 121.830, 33.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.460 - 2.020 |
| R-factor | 0.1981 |
| Rwork | 0.196 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t56 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.924 |
| 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] | 40.610 | 40.610 | 2.070 |
| High resolution limit [Å] | 2.020 | 9.030 | 2.020 |
| Rmerge | 0.129 | 0.040 | 0.946 |
| Rmeas | 0.135 | ||
| Rpim | 0.038 | ||
| Total number of observations | 215947 | ||
| Number of reflections | 17308 | ||
| <I/σ(I)> | 18.2 | ||
| Completeness [%] | 99.8 | 98.1 | 99 |
| Redundancy | 12.5 | 8.7 | 12.1 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Ammonium sulphate, Glycerol, MES |
