1AWD

FERREDOXIN [2FE-2S] OXIDIZED FORM FROM CHLORELLA FUSCA

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	1997-04-26
Detector	MARRESEARCH
Spacegroup name	I 4 3 2
Unit cell lengths	112.440, 112.440, 112.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.400
R-factor	0.1464
R-free	0.18110
Structure solution method	ANOMALOUS DISPERSION TO FIND THE TWO FE ATOMS USING 2.3 ANGSTROM CU ROTATING ANODE/MULTIWIRE DATA. THE REMAINING ATOMS WERE THEN FOUND BY ROTATING A FRAGMENT (FROM ENTRY 1FXL) ABOUT THE IRON ATOMS TO MINIMIZE THE CORRELATION COEFFICIENT BETWEEN F(OBS) AND F(CALC).
RMSD bond length	0.012
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.500	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.047	0.511
Total number of observations	351520 *
Number of reflections	24157
<I/σ(I)>	25	3.42
Completeness [%]	99.9	100
Redundancy	14.5	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8		1.3 M SODIUM CITRATE, 0.1 M GLYCINE AT PH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	19 (%)
2	1	drop	sodium citrate	1.1 (M)
3	1	drop	glycine	0.1 (M)
4	1	drop	Tris-HCl	20 (mM)
5	1	reservoir	sodium citrate	1.3 (M)
6	1	reservoir	glycine	1.1 (M)