7TTQ
P450 (OxyA) from kistamicin biosynthesis, imidazole complex
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 | 69.659, 69.659, 132.354 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.580 - 1.620 |
R-factor | 0.1793 |
Rwork | 0.178 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PHYRE Model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.054 |
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] | 44.582 | 1.696 |
High resolution limit [Å] | 1.620 | 1.638 |
Rmerge | 0.076 | 0.743 |
Rmeas | 0.080 | |
Rpim | 0.025 | 0.743 |
Number of reflections | 45953 | 4024 |
<I/σ(I)> | 17.7 | 0.6 |
Completeness [%] | 99.0 | |
Redundancy | 10.8 | |
CC(1/2) | 0.999 | 0.304 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.1 M MMT, pH 6.0, 25% PEG1500, 2 mM imidazole |