1IZO

Cytochrome P450 BS beta Complexed with Fatty Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9
Spacegroup name	P 32 2 1
Unit cell lengths	155.789, 155.789, 111.904
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.246
R-free	0.28000
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	21.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.040	0.323
Total number of observations	618052 *
Number of reflections	87103
<I/σ(I)>	16.2	1
Completeness [%]	95.1	81.5
Redundancy	7.4 *	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	20 *	10%(w/v) PEG 3350, 50 mM MES, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG3350	10 (%(w/v))
3	1	reservoir	MES	50 (mM)	pH6.8