9N67
Crystal structure of dihydroorotate dehydrogenase from Leishmania braziliensis in complex with orotate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9772 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.980, 105.456, 106.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.720 - 1.800 |
| R-factor | 0.166 |
| Rwork | 0.165 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.240 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.720 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 65143 | 9371 |
| <I/σ(I)> | 14.9 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.6 | 11 |
| CC(1/2) | 0.998 | 0.696 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294.15 | Ammonium sulfate, lithium sulfate, sodium citrate |
