3CAO

OXIDISED STRUCTURE OF THE ACIDIC CYTOCHROME C3 FROM DESULFOVIBRIO AFRICANUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	108.2
Detector technology	CCD AREA DETECTOR
Collection date	1997-01-24
Detector	THOMSON/PRINCETON JNSJR
Spacegroup name	I 2 3
Unit cell lengths	108.000, 108.000, 108.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.191 *
R-free	0.21800 *
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.022
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.660
High resolution limit [Å]	1.550	1.550
Rmerge	0.084 *	0.343 *
Number of reflections	29638
<I/σ(I)>	5.1	1.8
Completeness [%]	91.1	80.6
Redundancy	10.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.8		drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	6-8 (%(w/v))
3	1	reservoir	zinc acetate	0.05 (M)
4	1	reservoir	cacodylate	0.1 (M)