7TTA
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam
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 | 70.051, 70.051, 132.668 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.767 - 2.001 |
R-factor | 0.1998 |
Rwork | 0.198 |
R-free | 0.23980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PHYRE Model |
RMSD bond length | 0.008 |
RMSD bond angle | 2.585 |
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] | 44.767 | 2.073 |
High resolution limit [Å] | 2.001 | 2.001 |
Rmerge | 0.053 | 0.053 |
Rmeas | 0.075 | 0.635 |
Number of reflections | 25756 | 4458 |
<I/σ(I)> | 8.1 | |
Completeness [%] | 99.0 | 96 |
Redundancy | 1.9 | 1.8 |
CC(1/2) | 0.997 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.1 M MMT, 25% PEG1500 |