4GBM

Sulfotransferase Domain from the Curacin Biosynthetic Pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	45.856, 67.299, 118.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.340 - 1.620
R-factor	0.16
Rwork	0.158
R-free	0.18200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.128
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.620	3.490	1.620
Rmerge	0.074	0.052	0.375
Number of reflections	46830
<I/σ(I)>	16.2
Completeness [%]	98.5	99.7	89.6
Redundancy	6.6	7	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	25-31% PEG MME 550, 2.5-12.5 mM ZnSO4, 100 mM MES, pH 6.5, vapor diffusion, hanging drop, temperature 277K