5WQQ

High resolution structure of high-potential iron-sulfur protein in the oxidized state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	40
Detector technology	CCD
Collection date	2010-07-02
Detector	RAYONIX MX-225
Wavelength(s)	0.4
Spacegroup name	P 21 21 21
Unit cell lengths	46.336, 58.813, 23.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.970 - 0.800
R-factor	0.116
Rwork	0.116
R-free	0.12900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a39
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Refinement software	SHELXL (97)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.965	0.840
High resolution limit [Å]	0.800	0.800
Rmerge		0.533
Number of reflections	65319
<I/σ(I)>	9.2	1.7
Completeness [%]	95.3	74.7
Redundancy	6.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	1.8-2.0 M ammonium sulfate, 0.1 M sodium citrate, 10 mM K3[Fe(CN)6]