7Y98
Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.722, 95.703, 78.987 |
Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
Resolution | 24.650 - 2.270 |
R-factor | 0.239 |
Rwork | 0.237 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rm4 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.350 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.059 | 0.725 |
Number of reflections | 45487 | 4006 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 94.1 | 89.7 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 20% PEG 4000, 0.1M Na-Citrate pH 5.6, 20% iso-Propanol |