1D4C

CRYSTAL STRUCTURE OF THE UNCOMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE D41A
Synchrotron site	LURE
Beamline	D41A
Temperature [K]	277
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	109.690, 216.360, 112.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.900
Rwork	0.210
R-free	0.30000
RMSD bond length	0.014 *
RMSD bond angle	3.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.900
Rmerge	0.083
Total number of observations	266443 *
Number of reflections	59920
Completeness [%]	93.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	ammonium sulfate with added PEG 400, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 21K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	cacodylate	100 (mM)
2	1	reservoir	PEG400	1 (%(w/v))
3	1	reservoir	ammonium sulfate	2.1 (M)