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 |