5YHJ

Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-18
Detector	RIGAKU SATURN A200
Wavelength(s)	1.0
Spacegroup name	P 41
Unit cell lengths	58.962, 58.962, 238.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.746 - 2.300
R-factor	0.2161
Rwork	0.214
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.048
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.052	0.033	0.330
Rmeas	0.056	0.036	0.357
Rpim	0.021	0.014	0.136
Number of reflections	35823	3508	3622
<I/σ(I)>	22	44.71	5.09
Completeness [%]	99.6	96.8	100
Redundancy	6.8	6.6	6.7
CC(1/2)		0.999	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 uL Protein solution (16 mg/ml CYP152N1, 0.05 M MES buffer pH 7.0, 20% v/v Glycerol) and 1 uL (0.1M Tris-HCl buffer pH 8.5, 0.2M Magnesium chloride, 30% w/v polyethylene glycol 4000 (Pre-Crystallization Test Reagent A2, Hampton Research)