6W0S
Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.208, 91.325, 98.275 |
| Unit cell angles | 90.00, 96.41, 90.00 |
Refinement procedure
| Resolution | 43.060 - 1.700 |
| R-factor | 0.1874 |
| Rwork | 0.186 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wp2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.406 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.660 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.108 | 0.853 |
| Rmeas | 0.117 | 0.942 |
| Rpim | 0.045 | 0.392 |
| Number of reflections | 81192 | 4234 |
| <I/σ(I)> | 9 | 2 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.997 | 0.789 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M calcium chloride, 20% w/v PEG3350 |
