9CB8
Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.540, 104.780, 106.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.890 - 1.750 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.19430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.036 |
| 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] | 39.890 | 1.770 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.083 | |
| Rmeas | 0.089 | |
| Rpim | 0.033 | |
| Number of reflections | 133352 | 4337 |
| <I/σ(I)> | 10.67 | |
| Completeness [%] | 99.0 | |
| Redundancy | 7.2 | |
| CC(1/2) | 0.999 | 0.202 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294.15 | Ammonium sulfate, lithium sulfate, sodium citrate |
