1GM4

OXIDISED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 at pH 7.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	110
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	61.490, 61.490, 105.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.000 - 2.050
R-factor	0.189
Rwork	0.189
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cyr
RMSD bond length	0.013
RMSD bond angle	1.910
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000 *	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.058	0.281
Total number of observations	62904 *
Number of reflections	7949 *
<I/σ(I)>		5.28
Completeness [%]	99.5	99.2
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	7.6		Morais, J., (1995) Biochemistry, 34, 12830. *