7OQ6

Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	112.838, 112.838, 146.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.701 - 2.000
R-factor	0.19
Rwork	0.188
R-free	0.22740
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.730	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	64354	4493
<I/σ(I)>	13.5
Completeness [%]	100.0
Redundancy	26.5
CC(1/2)	0.998	0.395

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	4% polyethylene glycol 6000, 4% polyethylene glycol 8000, 4% polyethylene glycol 10000, 0.1 M potassium thiocyanate, 0.1 M sodium bromide and 0.1 M MES pH 6.5