3MPG
Dihydroorotase from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.360, 80.784, 104.772 |
| Unit cell angles | 90.00, 100.21, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.512 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.590 |
| High resolution limit [Å] | 2.600 | 6.830 | 2.550 |
| Rmerge | 0.088 | 0.050 | 0.263 |
| Number of reflections | 26859 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 98.6 | 99.6 | 89.9 |
| Redundancy | 4.3 | 4.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 200mM MgCl2, 20%PEG 3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
