4OQS
Crystal structure of CYP105AS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | H 3 |
| Unit cell lengths | 133.880, 133.880, 73.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.430 - 2.040 |
| R-factor | 0.19753 |
| Rwork | 0.195 |
| R-free | 0.24653 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zby |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.908 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.430 | 2.088 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.081 | 0.432 |
| Number of reflections | 31064 | |
| <I/σ(I)> | 1.91 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.3 M sodium acetate, 0.1 M Tris 10% PEG 8000 (w/v) + 10% PEG 1000 (w/v), pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
