2QP3

Identification and Characterization of Two Amino Acids Critical for the Substrate Inhibition of SULT2A1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	76.285, 131.720, 44.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
Rwork	0.226
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.219
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.500
Number of reflections	16159
Redundancy	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	(NH4)2SO4, NaCl, pH 7.5, vapor diffusion, temperature 291K