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 |