1F26

CRYSTAL STRUCTURE OF NO COMPLEX OF THR243VAL MUTANTS OF CYTOCHROME P450NOR

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	1999-10-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	54.567, 81.938, 85.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.400
R-factor	0.128 *
Rwork	0.139
R-free	0.18500 *
RMSD bond length	0.010 *
RMSD bond angle	2.141 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.044	0.130
Total number of observations	586895 *
Number of reflections	72706
<I/σ(I)>	10
Completeness [%]	99.6 *	97.5 *
Redundancy	8.1	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2 *	293	Shimizu, H., (2000) J. Inorg. Biochem., 81, 191. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	potassium phosphate	1 (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	PEG4000	36 (%)
7	1	reservoir	MES	100 (mM)
8	1	reservoir	glycerol	10 (%)