1JFC

X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferrous CO state at atomic resolution

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	2000-01-01
Detector	MARRESEARCH
Wavelength(s)	0.7
Spacegroup name	P 21 21 21
Unit cell lengths	54.866, 82.247, 85.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.050
R-factor	0.117 *
Rwork	0.117
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	0.031
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]	100.000	1.140
High resolution limit [Å]	1.050 *	1.050
Rmerge	0.065	0.317
Total number of observations	2238315 *
Number of reflections	175256
<I/σ(I)>	7	2.8
Completeness [%]	97.5	91.3
Redundancy	12.7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	36 (%)
2	1	reservoir	MES	0.1 (M)
3	1	reservoir	glycerol	10 (%)	pH7.0