6WFL
Camphor soaked P450cam D251E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-05-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.324, 64.039, 105.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.250 - 1.600 |
| R-factor | 0.2184 |
| Rwork | 0.218 |
| R-free | 0.25380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wk7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.983 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.250 | 1.657 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 114317 | 57198 |
| <I/σ(I)> | 7.01 | |
| Completeness [%] | 99.0 | |
| Redundancy | 2 | |
| CC(1/2) | 0.998 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 100 mM Bis-Tris pH 6.5, 20% PEG 8000, 200 mM potassium chloride, 5 mM DTT |
