6KBH

Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	131.762, 55.484, 135.960
Unit cell angles	90.00, 98.12, 90.00

Refinement procedure

Resolution	46.886 - 2.600
R-factor	0.2379
Rwork	0.236
R-free	0.27720
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.886	46.886	2.760
High resolution limit [Å]	2.600	7.710	2.600
Rmerge	0.047	0.027	0.706
Rmeas	0.054	0.031	0.802
Total number of observations	135970
Number of reflections	30181	1220	4743
<I/σ(I)>	16.95	49.27	2.01
Completeness [%]	99.2	98.1	97.2
Redundancy	4.505	4.172	4.42
CC(1/2)	0.999	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Ethylene glycol, PEG 8000, Magnesium Chloride, Calcium Chloride