8HG9
Cytochrome P450 steroid hydroxylase (BaCYP106A6) from Bacillus species
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.634, 99.231, 94.424 |
Unit cell angles | 90.00, 106.49, 90.00 |
Refinement procedure
Resolution | 37.590 - 2.790 |
R-factor | 0.2259 |
Rwork | 0.224 |
R-free | 0.26920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | modeling |
RMSD bond length | 0.002 |
RMSD bond angle | 0.534 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.940 |
High resolution limit [Å] | 2.790 | 2.800 |
Number of reflections | 22227 | 3161 |
<I/σ(I)> | 31 | |
Completeness [%] | 99.1 | |
Redundancy | 6.4 | |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 295 | 0.18 M Ammonium Citrate Dibasic, 22% (w/v) PEG 3350 |