4XQ6
CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENSE from MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-04-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.335, 106.921, 65.089 |
| Unit cell angles | 90.00, 106.21, 90.00 |
Refinement procedure
| Resolution | 23.470 - 2.000 |
| R-factor | 0.17895 |
| Rwork | 0.176 |
| R-free | 0.23120 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.968 |
| Data reduction software | HKL-2000 |
| Data scaling software | DENZO |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 27.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 39530 |
| <I/σ(I)> | 11.64 |
| Completeness [%] | 99.3 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 300 | 22-27% PEG 3350, 0.1M Bis-Tris pH 5.0, 0.2M Mgcl2 |
