8OFW
Crystal structure of the full-length dihydroorotate dehydrogenase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-27 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.050, 85.215, 181.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.508 - 3.800 |
| Rwork | 0.255 |
| R-free | 0.32780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.974 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.508 | 4.000 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Rmerge | 0.253 | 1.229 |
| Rmeas | 0.279 | 1.358 |
| Number of reflections | 39498 | 1012 |
| <I/σ(I)> | 5 | 1.5 |
| Completeness [%] | 97.5 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.988 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 0,2 M Sodium Chloride, 0,1 M Tris-HCl pH 8,5 and 25 % (w/v) PEG 3350 |
