3ZWS
Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-16 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.720, 90.720, 123.072 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.420 - 1.600 |
R-factor | 0.16171 |
Rwork | 0.161 |
R-free | 0.17633 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.016 |
RMSD bond angle | 1.540 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.420 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.080 | 0.440 |
Number of reflections | 77716 | |
<I/σ(I)> | 13.3 | 3.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M SODIUM ACETATE (PH 4.8), 2.4-2.6 M AMMONIUM SULPHATE, 40 MM C11DAO, 20 MM DDAO. |