5UCW
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 123.864, 126.956, 62.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.19094 |
| Rwork | 0.189 |
| R-free | 0.22324 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wg2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.437 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 108841 | |
| <I/σ(I)> | 23.9 | 1.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 13.4 | 13.8 |
| CC(1/2) | 1.000 | 0.593 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 0.1 M Bis-tris pH 5.0, 13% PEG 3350, 0.2 M NaHCOO, 22 mg/ml protein |
