3U2O
Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.90005 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.028, 91.028, 122.465 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.340 - 2.180 |
| R-factor | 0.1611 |
| Rwork | 0.159 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d3g |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.437 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 2.270 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.516 | |
| Number of reflections | 31139 | |
| Completeness [%] | 99.8 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.8 | 293 | ammonium sulfate, pH 4.8, vapor diffusion, temperature 293K |
