3MJM
His257Ala mutant of dihydroorotase from E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.115, 79.063, 180.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.130 - 1.870 |
| R-factor | 0.17089 |
| Rwork | 0.169 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xge |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.543 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 4.010 | 1.860 |
| Rmerge | 0.079 | 0.065 | 0.276 |
| Number of reflections | 59132 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 94.4 | 91.1 | 83.6 |
| Redundancy | 3.3 | 5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 15-20 % PEG 3350, 0.1 M MES pH 6.0, 150 mM KCl, 75 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
