1J51

CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2001-10-26
Detector	MAR scanner 345 mm plate
Spacegroup name	P 1
Unit cell lengths	66.870, 62.440, 95.520
Unit cell angles	89.98, 90.30, 90.09

Refinement procedure

Resolution	500.000 * - 2.200
Rwork	0.186
R-free	0.25800
RMSD bond length	0.001 *
RMSD bond angle	1.740
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.0)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.079	0.354
Total number of observations	285817 *
Number of reflections	74970 *
<I/σ(I)>	11.5
Completeness [%]	95.8 *	90.1
Redundancy	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	291	PEG8000, sodium acetate, sodium cacodylate, pH 6.5, EVAPORATION, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	cacodylate	100 (mM)	pH6.5
2	1	reservoir		200 (mM)
3	1	drop	protein	8 (mg/ml)