2NNC

Structure of the sulfur carrier protein SoxY from Chlorobium limicola f thiosulfatophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-02
Detector	MARRESEARCH
Wavelength(s)	1.06
Spacegroup name	C 2 2 21
Unit cell lengths	40.725, 120.114, 95.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.140
Rwork	0.216
R-free	0.25600
Structure solution method	MIR
RMSD bond length	0.011
RMSD bond angle	1.317
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.08)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.200
High resolution limit [Å]	2.140	2.140
Rmerge	0.055	0.393
Number of reflections	13122
<I/σ(I)>	33.4	5.6
Completeness [%]	98.1	97.8
Redundancy	7.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	294	Ammonium phosphate, sodium acetate, DTT, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	4	294	Ammonium phosphate, sodium acetate, DTT, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	4	294	Ammonium phosphate, sodium acetate, DTT, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K