1CZP

ANABAENA PCC7119 [2FE-2S] FERREDOXIN IN THE REDUCED AND OXIXIZED STATE AT 1.17 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	37.220, 37.370, 146.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.170
R-factor	0.143
Rwork	0.140
R-free	0.18370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fxa
RMSD bond length	0.013 *
RMSD bond angle	0.029 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.220
High resolution limit [Å]	1.170	1.170
Rmerge	0.037 *	0.111
Number of reflections	67611 *
<I/σ(I)>	12	6.1
Completeness [%]	95.5	89.3
Redundancy	4.3	2.8

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, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

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