1XRF
The Crystal Structure of a Novel, Latent Dihydroorotase from Aquifex aeolicus at 1.7 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9587, 0.9806, 0.9808 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.579, 172.715, 59.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.500 - 1.650 |
| R-factor | 0.17881 |
| Rwork | 0.177 |
| R-free | 0.21259 |
| Structure solution method | MAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.858 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.500 | 1.693 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.090 | |
| Number of reflections | 47187 | |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 83.9 | 80 |
| Redundancy | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | ethanol, peg 400, acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
