2QS7

CRYSTAL STRUCTURE OF a putative oxidoreductase of the DsrE/DsrF-like family (SSO1126) FROM SULFOLOBUS SOLFATARICUS P2 AT 2.09 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00000
Spacegroup name	H 3 2
Unit cell lengths	112.360, 112.360, 293.284
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.737 - 2.090
R-factor	0.177
Rwork	0.176
R-free	0.20300
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.562
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.737	48.737	2.160
High resolution limit [Å]	2.090	3.570	2.090
Rmerge	0.066	0.056	0.801
Number of reflections	42142	4299	3267
<I/σ(I)>	21.12	50.6	2.24
Completeness [%]	98.9	99.9	88.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	NANODROP, 23.1% PEG 3350, 0.193M Potassium dihydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP		293	NANODROP, 23.1% PEG 3350, 0.193M Potassium dihydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K