1UP9

REDUCED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	110
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	61.360, 61.360, 106.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.350
R-factor	0.1586
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cyr
RMSD bond length	0.011
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.380
High resolution limit [Å]	1.350	1.350
Rmerge	0.033	0.183
Number of reflections	26954
Completeness [%]	99.5	96.8
Redundancy	4.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.6		pH 7.60