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 |