3AWM

Cytochrome P450SP alpha (CYP152B1) wild-type with palmitic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	94.440, 94.440, 113.553
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.850 - 1.650
R-factor	0.1521
Rwork	0.151
R-free	0.17330
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.279
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.064	0.048	0.489
Number of reflections	70272
<I/σ(I)>	13.7
Completeness [%]	99.1	98.4	82.8
Redundancy	21.6	20.4	17.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.05M HEPES, 17.5% MPD, 25mM MES, 10% glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K