1F1C

CRYSTAL STRUCTURE OF CYTOCHROME C549

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-05-12
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	36.500, 84.400, 43.800
Unit cell angles	90.00, 96.50, 90.00

Refinement procedure

Resolution	500.000 - 2.300
R-factor	0.217 *
Rwork	0.217
R-free	0.26000
RMSD bond length	0.008
RMSD bond angle	1.290
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.076	0.190
Number of reflections	8556
<I/σ(I)>	7.24
Completeness [%]	73.8	60
Redundancy	8.4	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5	298	0.4M ammonium acetate, pH 4.5, VAPOR DIFFUSION, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11.7 (mg/ml)
2	1	reservoir	ammonium acetate	0.4 (M)
3	1	reservoir	MPD	5 (%)