3CAR

REDUCED 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	1998-01-21
Detector	THOMSON/PRINCETON JNSJR
Spacegroup name	I 2 3
Unit cell lengths	107.657, 107.657, 107.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
Rwork	0.198
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	OXIDISED FORM OF THE SAME PROTEIN
RMSD bond length	0.014
RMSD bond angle	0.030
Data reduction software	XDS
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.065 *	0.531 *
Number of reflections	17501
<I/σ(I)>	8.6	1.2
Completeness [%]	97.9	87.4
Redundancy	32.4	13.8

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)