1P7R

CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	1997-06-20
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	63.455, 63.455, 248.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.380 - 2.850
R-factor	0.274
Rwork	0.238
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011 *
RMSD bond angle	1.482 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.380	2.870
High resolution limit [Å]	2.850	2.850
Rmerge	0.075 *	70.100 *
Number of reflections	10395
<I/σ(I)>	12.4	2
Completeness [%]	80.9	70.1
Redundancy	12.9	0.392 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	4 *	PEG 8000, potassium phosphate, potassium chloride, dithiothreitol, nicotine, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	16-24 (%(w/v))
2	1	drop	protein	20-30 (mg/ml)