7WYF
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 57.710, 71.770, 179.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.990 - 3.300 |
| R-factor | 0.2629 |
| Rwork | 0.258 |
| R-free | 0.35950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rx0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.554 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.940 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.537 | |
| Number of reflections | 5898 | 848 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.992 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M Tris-HCl (pH 7.5-9.5), 35 % (w/v) PEG 4000, 50 mM sodium formate |
