6KZS

Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	48.699, 81.395, 100.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.824 - 1.601
R-factor	0.1871
Rwork	0.186
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d09
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.078	0.044	0.441
Rmeas	0.081	0.046	0.459
Rpim	0.022	0.013	0.126
Number of reflections	53190	2875	2618
<I/σ(I)>	6.6
Completeness [%]	100.0	99.4	100
Redundancy	12.9	12.1	13.2
CC(1/2)		0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Magnesium chloride hexahydrate, 20% w/v Polyethylene glycol 3350