7TTO
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-07-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 69.996, 69.996, 132.386 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.700 - 1.600 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PHYRE Model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.621 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.705 | 1.630 |
| High resolution limit [Å] | 1.599 | 1.600 |
| Rmerge | 0.050 | 0.542 |
| Rmeas | 0.570 | |
| Rpim | 0.017 | 0.176 |
| Number of reflections | 50318 | 2374 |
| <I/σ(I)> | 24.3 | 4 |
| Completeness [%] | 99.8 | 96.2 |
| Redundancy | 10.1 | 10.2 |
| CC(1/2) | 0.997 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.1 M MMT, pH 6.0, 25% PEG1500 |
