3MNL
The crystal structure of KstR (Rv3574) from Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953692 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.020, 54.570, 165.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.790 - 1.800 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bjb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.850 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | BUSTER (2.9.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 165.990 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.606 |
| Number of reflections | 35558 | |
| <I/σ(I)> | 21.5 | 3.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 17.5% PEG 3350, 0.2M ammonium fluoride, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
