7AO7
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2017-05-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.503, 116.194, 288.309 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.170 - 2.550 |
R-factor | 0.2072 |
Rwork | 0.205 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ant |
RMSD bond length | 0.009 |
RMSD bond angle | 1.589 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.170 | 2.600 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.140 | 0.960 |
Rpim | 0.080 | 0.620 |
Number of reflections | 80491 | 4553 |
<I/σ(I)> | 10.4 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | |
CC(1/2) | 1.000 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M Bis-Tris pH 6.5, 25% (w/v) PEG 3350 |