3BFX

Crystal structure of human sulfotransferase SULT1C1 in complex with PAP

Replaces:  2ETGReplaces:  1ZHE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-24
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97972
Spacegroup name	P 1 2 1
Unit cell lengths	48.824, 40.536, 154.612
Unit cell angles	90.00, 91.83, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.184
Rwork	0.183
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1XV1
RMSD bond length	0.015
RMSD bond angle	1.533
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.042	0.205
Number of reflections	54077
<I/σ(I)>	13.4	4
Completeness [%]	95.6	70.2
Redundancy	4.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	297	1.0M Na Citrate, 0.1M Cacodylate, pH 6.5, VAPOR DIFFUSION, temperature 297K