2B4G
dihydroorotate dehydrogenase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-05 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9201 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.605, 162.630, 163.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.1916 |
| Rwork | 0.189 |
| R-free | 0.24243 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB accession code 1JUE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.326 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0005 24/04/2001) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 163.000 | 20.880 | 2.060 |
| High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
| Rmerge | 0.107 | 0.059 | 0.428 |
| Number of reflections | 76097 | ||
| <I/σ(I)> | 6 | 8.3 | 1.8 |
| Completeness [%] | 96.2 | ||
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 0.4 ul protein 14.1 mg/ml 0.4 ul crystallization buffer, 40% PEG 1000, 0.1M Na Citrate, 0.1M KBr, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
