3ZWT
Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.790, 90.790, 123.491 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.630 - 1.550 |
| R-factor | 0.16029 |
| Rwork | 0.159 |
| R-free | 0.17744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d3g |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.567 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.870 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 85643 | |
| <I/σ(I)> | 14 | 3.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.3 | 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. |
