6GDF
DIHYDROOROTASE FROM AQUIFEX AEOLICUS UNDER 600 BAR OF HYDROSTATIC PRESSURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID27 |
| Synchrotron site | ESRF |
| Beamline | ID27 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2015-05-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.3738 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.840, 176.488, 65.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.420 - 2.500 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xrf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.338 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUCCANEER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.420 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.135 | 0.833 |
| Number of reflections | 14277 | |
| <I/σ(I)> | 8.3 | 1.7 |
| Completeness [%] | 76.8 | 78.3 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | ETHANOL (12%), PEG 400 (4%), ACETATE, PH 4.6 (0.1 M) |
