1QT9

OXIDIZED [2FE-2S] FERREDOXIN FROM ANABAENA PCC7119

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	100
Detector technology	CCD
Collection date	1997-04-15
Detector	PRINCETON 2K
Spacegroup name	P 32 2 1
Unit cell lengths	37.400, 37.400, 135.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.300
R-factor	0.1597
Rwork	0.138
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fxa
RMSD bond length	0.017 *
RMSD bond angle	0.034 *
Data reduction software	XDS
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.340
High resolution limit [Å]	1.300	1.280
Rmerge	0.061	0.226
Number of reflections	27431
<I/σ(I)>	5.8	3
Completeness [%]	96.5	80.5 *
Redundancy	6.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	4 *	50 MM SODIUM SUCCINATE PH 5.5, 2.6 M AMMONIUM SULFATE, 1% MPD AT 4 C, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.6 (M)
2	1	reservoir	potassium succinate	50 (mM)