6HG2
Hybrid dihydroorotase domain of human CAD with E. coli flexible loop, bound to fluoroorotate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.573, 159.288, 60.829 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.340 - 1.830 |
| R-factor | 0.1503 |
| Rwork | 0.150 |
| R-free | 0.16000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c6i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.047 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 1.890 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmeas | 0.055 | 0.828 |
| Number of reflections | 35552 | 3499 |
| <I/σ(I)> | 19.9 | 2.8 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.5 | 6.9 |
| CC(1/2) | 0.999 | 0.877 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Protein at 2-3 mg/ml in 20 mM Tris pH 8, 0.15 M NaCl, 0.02 mM zinc sulfate, 0.2 mM TCEP, 4 mM fluoroorotate Mother liquor: 2.5-3 M potassium formate, 0.1 M HEPES pH 7.5 |
