1D4E

CRYSTAL STRUCTURE OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1 COMPLEXED WITH FUMARATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW21B
Synchrotron site	LURE
Beamline	DW21B
Temperature [K]	107
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	73.080, 73.080, 216.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.800
R-factor	0.243 *
Rwork	0.243
R-free	0.31100
RMSD bond length	0.013 *
RMSD bond angle	3.900 *
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]	2.800
Rmerge	0.054
Total number of observations	157538 *
Number of reflections	15540
Completeness [%]	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	ammonium sulfate with ethanol and fumarate added, bicine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 21K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Bicine	100 (mM)
2	1	reservoir	ethanol	1 (%(v/v))
3	1	reservoir	succinate	100 (mM)	or fumarate
4	1	reservoir	ammonium sulfate	2.6 (M)