4YIW
DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.183, 81.676, 104.529 |
| Unit cell angles | 90.00, 100.29, 90.00 |
Refinement procedure
| Resolution | 19.720 - 2.450 |
| R-factor | 0.20862 |
| Rwork | 0.206 |
| R-free | 0.26464 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mpg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.023 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.720 | 2.470 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.137 | |
| Number of reflections | 32369 | |
| <I/σ(I)> | 8.05 | |
| Completeness [%] | 89.5 | |
| Redundancy | 3.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | BIS-tris, PEG3350 |
