7TTB
P450 (OxyA) from kistamicin biosynthesis, Y99F mutant
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 | 69.801, 69.801, 132.356 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.637 - 1.802 |
| R-factor | 0.185905701289 |
| Rwork | 0.184 |
| R-free | 0.22391 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PHYRE Model |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.779 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.630 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.057 | 0.897 |
| Rmeas | 0.063 | 0.995 |
| Rpim | 0.027 | 0.422 |
| Number of reflections | 35272 | 2053 |
| <I/σ(I)> | 15.4 | 1.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.999 | 0.657 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.1 M MMT, pH 6.0, 25% PEG1500 |
