4GOX

Sulfotransferase Domain from the Synechococcus PCC 7002 Olefin Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 42 21 2
Unit cell lengths	131.440, 131.440, 47.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.070 - 2.150
R-factor	0.1898
Rwork	0.188
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge		0.035	0.633
Number of reflections	23099
Completeness [%]	99.8	98.4	100
Redundancy		8	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	27-30% PEG1500, 100 mM MMT buffer (DL-malic acid, MES, Tris), pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K