8GVZ
Crystal structure of the human dihydroorotase domain in complex with the anticancer drug 5-fluorouracil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2022-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.775, 157.788, 61.828 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.780 - 1.970 |
| R-factor | 0.1793 |
| Rwork | 0.177 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ynz |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.059 | 0.275 |
| Number of reflections | 28620 | 2793 |
| <I/σ(I)> | 29.8 | 6.63 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M MES, pH 6.5, 1.6M potassium sodium tartrate tetrahydrate |
