5ZF8
Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.526, 90.526, 122.544 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.020 - 1.700 |
R-factor | 0.16847 |
Rwork | 0.168 |
R-free | 0.18151 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zws |
RMSD bond length | 0.009 |
RMSD bond angle | 1.376 |
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 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.060 | |
Number of reflections | 64294 | 3157 |
<I/σ(I)> | 13 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 293 | 100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE |