1DFX

DESULFOFERRODOXIN FROM DESULFOVIBRIO DESULFURICANS, ATCC 27774

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1992-10
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	112.500, 112.500, 63.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.2
R-free	0.23000
Structure solution method	MULTIPLE WAVELENGTH ANOMALOUS DISPERSION (MAD)
RMSD bond length	0.020
RMSD bond angle	30.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-93
Refinement software	SHELXL-93

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.045	0.260
Total number of observations	25678 *
Number of reflections	11867
<I/σ(I)>	8.8	2.9
Completeness [%]	97.7	96.3
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		Coelho, A.V., (1996) Protein Sci., 5, 1189. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	20 (%(w/v))
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir		0.2 (M)