1GEK

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	106.340, 102.740, 36.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
Rwork	0.225
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.011 *
RMSD bond angle	24.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.059	0.358
Number of reflections	40825
<I/σ(I)>	7.6	2.3
Completeness [%]	91.7	67.6
Redundancy	7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.4 *	5 *	Imai, M., (1989) Proc. Natl. Acad. Sci., 86, 7823. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	0.008 (mM)
2	1	1	potassium phosphate	50 (mM)
3	1	1		50 (mM)
4	1	1	d-camphor	1 (mM)