1B0P

CRYSTAL STRUCTURE OF PYRUVATE-FERREDOXIN OXIDOREDUCTASE FROM DESULFOVIBRIO AFRICANUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	100
Detector technology	CCD
Collection date	1996-03
Detector	PRINCETON 2K
Spacegroup name	P 21 21 21
Unit cell lengths	84.800, 144.900, 203.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.310
R-factor	0.199 *
Rwork	0.199
R-free	0.27100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	25.100 *
Data reduction software	CCP4
Data scaling software	XDS
Refinement software	X-PLOR (3.854)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.310	2.310
Rmerge	0.082 *	0.119 *
Number of reflections	75568
<I/σ(I)>	7.4
Completeness [%]	68.1	28.2
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.5 *	293 *	Pieulle, L., (1999) Acta Crystallogr., Sect.D, 55, 329. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)	pH8.5
2	1	reservoir	PEG6000	12-15 (%)
3	1	reservoir		100 (mM)	can be replaced by 10mM BaCl2. CaCl2, CoCl2 or MnCl2.
4	1	reservoir	sodium cacodylate	100 (mM)