1GEJ

STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-20
Detector	MAR CCD 165 mm
Wavelength(s)	0.7
Spacegroup name	P 21 21 21
Unit cell lengths	54.590, 81.910, 85.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.500
Rwork	0.207
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rom
RMSD bond length	0.007
RMSD bond angle	24.000 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.056	0.278
Number of reflections	57289
<I/σ(I)>	9.8	2.8
Completeness [%]	92.4	65.3
Redundancy	6.2	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2 *	4 *	Park, S-Y., (1997) FEBS. Lett., 412, 346. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	drop	potassium phosphate	20 (mM)
3	1	drop	glycerol	10 (%(v/v))
4	1	drop	dithiothreitol	0.1 (mM)
5	1	drop	EDTA	0.1 (mM)
6	1	reservoir	MES	100 (mM)
7	1	reservoir	PEG4000