1XRT
The Crystal Structure of a Novel, Latent Dihydroorotase from Aquifex Aeolicus at 1.7 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-02-28 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.201, 91.235, 61.183 |
| Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.609 |
| R-factor | 0.16688 |
| Rwork | 0.165 |
| R-free | 0.20794 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xrf |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.770 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Phasing software | CCP4 ((MOLREP)) |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.670 |
| High resolution limit [Å] | 1.609 | 1.609 |
| Number of reflections | 95834 | |
| <I/σ(I)> | 4.8 | 2.8 |
| Completeness [%] | 79.2 | 14.5 |
| Redundancy | 6.5 | 3 |
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 |
