1P2Y

CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	103
Detector technology	CCD
Collection date	1996-07-07
Detector	ADSC QUANTUM 1
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	64.050, 64.050, 251.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.520 - 2.300
R-factor	0.223
Rwork	0.223
R-free	0.26400 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.439 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.520	2.320
High resolution limit [Å]	2.300	2.300
Rmerge	0.066 *	0.242 *
Number of reflections	21616
<I/σ(I)>	12.4	4
Completeness [%]	86.0	56.4
Redundancy	4.7

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)