1OFF

2Fe-2S Ferredoxin from Synechocystis sp. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 65
Unit cell lengths	38.788, 38.788, 111.751
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.520 - 1.800
R-factor	0.17553
Rwork	0.174
R-free	0.21600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1czp
RMSD bond length	0.014 *
RMSD bond angle	1.630 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.500 *	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.317
Total number of observations	161518 *
Number of reflections	8723
Completeness [%]	98.5	97.2
Redundancy	7.7	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	HEPES-KOH	25 (mM)
3	1	drop		100 (mM)	pH7.5
4	1	reservoir	MES-KOH	100 (mM)
5	1	reservoir	ammonium sulfate	3.6 (M)
6	1	reservoir	MPD	1 (%(v/v))	pH6.5