7Y97

Crystal structure of CYP109B4 from Bacillus Sonorensis

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	71.987, 90.543, 72.029
Unit cell angles	90.00, 102.26, 90.00

Refinement procedure

Resolution	24.480 - 2.360
R-factor	0.2195
Rwork	0.217
R-free	0.25970
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	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.430
High resolution limit [Å]	2.350	5.050	2.350
Rmerge	0.057	0.030	0.479
Rmeas	0.065	0.035	0.556
Rpim	0.033	0.017	0.279
Total number of observations	149002
Number of reflections	37485	3796	3750
<I/σ(I)>	14.7
Completeness [%]	99.9	99.2	100
Redundancy	4	3.9	3.9
CC(1/2)		0.999	0.863

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