1OS6

Cytochrome c7 (PpcA) from Geobacter sulfurreducens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-18
Detector	SBC-2
Wavelength(s)	1.0332
Spacegroup name	P 43 2 2
Unit cell lengths	32.400, 32.400, 178.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.450
R-factor	0.1821
Rwork	0.182
R-free	0.22700 *
Structure solution method	MAD
RMSD bond length	0.022 *
RMSD bond angle	4.700 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.061	0.134
Number of reflections	30830
<I/σ(I)>	57.7	9.2
Completeness [%]	96.0 *	73 *
Redundancy	5.3 *	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	3.5 M Ammonium sulfate, 0.25% deoxycholic acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6	293	3.5 M Ammonium sulfate, 0.25% deoxycholic acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6	293	3.5 M Ammonium sulfate, 0.25% deoxycholic acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	72 (mg/ml)
2	1	drop	ammonium sulfate		pH6.0 or 7.0
3	1	reservoir	ammonium sulfate	3.5 (M)	pH6.0
4	1	reservoir	deoxycholic acid	0.25 (%)