3U3J

Crystal structure of hSULT1A1 bound to PAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.937
Spacegroup name	P 21 21 21
Unit cell lengths	72.097, 79.422, 121.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.22296
Rwork	0.219
R-free	0.29885
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ls6
RMSD bond length	0.014
RMSD bond angle	1.506
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.750
High resolution limit [Å]	2.700	7.300	2.700
Rmerge	0.102	0.038	0.526
Number of reflections	19798
<I/σ(I)>	9.9
Completeness [%]	99.7	98.4	100
Redundancy	6.7	6.3	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	Sodium chloride, HEPES, Polyethylene glycol 3,350, pH 7.5, VAPOR DIFFUSION, temperature 293K