1IO7

THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.7
Spacegroup name	P 43 21 2
Unit cell lengths	86.194, 86.194, 221.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.000 - 1.500
R-factor	0.222 *
Rwork	0.224
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.078	0.396
Total number of observations	591529 *
Number of reflections	122326
<I/σ(I)>	10.6
Completeness [%]	91.3	84.4
Redundancy	4.8	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4 *	293 *	Park, S.Y., (2000) Acta Crystallogr., D56, 1173. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium thiocyanate	200 (mM)
2	1	reservoir	PEG4000	20 (%(w/v))
3	1	drop	protein	41 (mg/ml)