1AOF

CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1994-03-01
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	107.400, 61.700, 101.200
Unit cell angles	90.00, 112.10, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.17 *
Rwork	0.170
R-free	0.20100
RMSD bond length	0.007
RMSD bond angle	25.984 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.062 *
Total number of observations	461872 *
Number of reflections	58965
Completeness [%]	93.5	91.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	15 *	Fulop, V., (1993) J. Mol. Biol., 232, 1211. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	ammonium sulfate	1.1-1.15 (M)
3	1	drop	potassium phosphate	25 (mM)
4	1	reservoir	ammonium sulfate	2.2-2.3 (M)
5	1	reservoir	potassium phosphate	50 (mM)