9IY1
P450 BS beta mutant F46A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 172.420, 190.114, 226.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.490 - 2.290 |
| R-factor | 0.1985 |
| Rwork | 0.198 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1izo |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.567 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.490 | 2.372 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Number of reflections | 165978 | 16442 |
| <I/σ(I)> | 1.47 | |
| Completeness [%] | 97.5 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.983 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.45M Li2SO4, 50mM MES, pH 5.8, 10% PEG3350 |
