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