1I0R

CRYSTAL STRUCTURE OF FERRIC REDUCTASE FROM ARCHAEOGLOBUS FULGIDUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	56.378, 56.378, 214.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.2056
Rwork	0.205
R-free	0.21950
Structure solution method	MIRAS
RMSD bond length	0.011
RMSD bond angle	1.440 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.054	0.339
Total number of observations	286113 *
Number of reflections	50566
<I/σ(I)>	22
Completeness [%]	89.2	66.1
Redundancy	5.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	PEG4000, SODIUM ACETATE, TRIS-HCL, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	Tris-HCl	0.1 (M)
3	1	reservoir	PEG4000	21-22 (%(w/v))
4	1	reservoir	sodium acetate	0.1 (M)
5	1	reservoir	Tris-HCl	0.1 (M)