7CA1
Crystal structure of dihydroorotase in complex with plumbagin from Saccharomyces cerevisiae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-11-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.240, 88.360, 103.420 |
| Unit cell angles | 90.00, 95.16, 90.00 |
Refinement procedure
| Resolution | 45.900 - 3.600 |
| R-factor | 0.2629 |
| Rwork | 0.261 |
| R-free | 0.30880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l0a |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 3.730 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Number of reflections | 16982 | 1485 |
| <I/σ(I)> | 1.2 | |
| Completeness [%] | 94.5 | |
| Redundancy | 1.2 | |
| CC(1/2) | 0.942 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM imidazole malate pH 7, 16% PEG 4000 |
