5Y5H
SF-ROX structure of cytochrome P450nor (NO-bound state) determined at SACLA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-22 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.2404 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.017, 75.570, 101.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.452 - 1.500 |
| R-factor | 0.1703 |
| Rwork | 0.169 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cl6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.924 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.prime |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 65042 | |
| <I/σ(I)> | 47 | 8.6 |
| Completeness [%] | 94.7 | 65.8 |
| Redundancy | 56.2 | 9.2 |
| CC(1/2) | 0.929 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 38% PEG 10000, 0.1 M BIS-TRIS PROPANE 0.15 M Ammonium acetate |
