1UPD

Oxidized 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	61.680, 61.680, 106.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.400
R-factor	0.1472
R-free	0.19120
Structure solution method	OTHER
RMSD bond length	0.011
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.430
High resolution limit [Å]	1.400	1.400
Rmerge	0.055	0.279
Number of reflections	44219
Completeness [%]	99.2	98.5
Redundancy	4.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.6		pH 7.60