1DW3

STRUCTURE OF A REDUCED OXYGEN BINDING CYTOCHROME C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-01-01
Detector	MACSCIENCE
Spacegroup name	I 2 2 2
Unit cell lengths	83.345, 103.498, 113.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.171
R-free	0.19800
RMSD bond length	0.027 *
RMSD bond angle	3.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.051	0.210
Total number of observations	140377 *
Number of reflections	29224
<I/σ(I)>	20.91
Completeness [%]	96.8	95.3
Redundancy	4.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	298	ammonium sulfate, reduced in anaerobic glovebox by dithionite, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	3.1 (M)
2	1	reservoir	HEPES	100 (mM)