1FAH

STRUCTURE OF CYTOCHROME P450

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1994-09-19
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 1 21 1
Unit cell lengths	59.500, 154.000, 62.400
Unit cell angles	90.00, 95.00, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.172
Rwork	0.172
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	WILD TYPE P450BM-3 HEME DOMAIN
RMSD bond length	0.008
RMSD bond angle	23.100 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.300
Total number of observations	120931 *
Number of reflections	44522
<I/σ(I)>	10.39	1
Completeness [%]	88.2	62.5 *
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.8		SEE REFERENCE 1, pH 6.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	PEG8000	16 (%)
3	1	reservoir		100 (mM)
4	1	reservoir	PIPES	100 (mM)