5AQC
KstR, transcriptional repressor of cholesterol degradation in Mycobacterium tuberculosis, bound to the cholesterol coenzyme A derivative, (25R)-3-oxocholest-4-en-26-oyl-CoA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2015-09-03 |
| Detector | MARRESERCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.329, 67.404, 49.923 |
| Unit cell angles | 90.00, 105.71, 90.00 |
Refinement procedure
| Resolution | 61.290 - 1.660 |
| R-factor | 0.18603 |
| Rwork | 0.184 |
| R-free | 0.22604 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mnl |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.940 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.290 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.060 | 0.650 |
| Number of reflections | 44460 | |
| <I/σ(I)> | 8.6 | 1.2 |
| Completeness [%] | 92.4 | 62.2 |
| Redundancy | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 11% PEG 3350, 90 MM NASO4, 22% MPD, pH 7 |
