19HC

NINE-HAEM CYTOCHROME C FROM DESULFOVIBRIO DESULFURICANS ATCC 27774

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-04-01
Detector	MARRESEARCH
Wavelength(s)	1.7377, 1.7398, 1.7408, 0.8856
Spacegroup name	P 1 21 1
Unit cell lengths	60.380, 106.070, 80.620
Unit cell angles	90.00, 103.50, 90.00

Refinement procedure

Resolution	24.000 - 1.800
R-factor	0.1694
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.200	1.870
High resolution limit [Å]	1.800	1.800
Rmerge	0.034	0.116
Total number of observations	425233 *
Number of reflections	91192
<I/σ(I)>	16.8	6.2
Completeness [%]	98.8	93.1
Redundancy	4.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5	293 *	Coelho, A.V., (1996) Acta Crystallogr. D52, 1202. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	2-10 (%(v/v))
2	1	reservoir	sodium acetate	0.25-0.75 (M)