2EG8
The crystal structure of E. coli dihydroorotase complexed with 5-fluoroorotic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-05-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.515, 79.708, 180.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.200 |
| R-factor | 0.17359 |
| Rwork | 0.171 |
| R-free | 0.22694 |
| Structure solution method | Refinement |
| Starting model (for MR) | 1xge |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.357 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.257 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.086 | 0.340 |
| Number of reflections | 36648 | |
| <I/σ(I)> | 12.8 | 3.3 |
| Completeness [%] | 94.7 | 89.6 |
| Redundancy | 4.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 15-20% PEG 3350, 0.1M MES, 75mM MgCl2, 150mM KCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
