9M4M
Crystal structure of human DHODH in complex with Lapachol derivatives, 511-12
This is a non-PDB format compatible entry.
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 | 2015-05-17 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.057, 91.057, 122.922 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.980 - 1.750 |
| R-factor | 0.16489 |
| Rwork | 0.164 |
| R-free | 0.17603 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zws |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.417 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.083 | 0.686 |
| Number of reflections | 60026 | 2919 |
| <I/σ(I)> | 11 | 4.1 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 8.1 | |
| CC(1/2) | 0.960 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 293 | 100 mM SODIUM ACETATE, 1.8-1.9 M, AMMONIUM SULPHATE, 40 mM C11DAO, 20.8 mM DDAO, 2 mM DIHYDROOROTATE, PH 4.9 |
