2REO

Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97900
Spacegroup name	P 61 2 2
Unit cell lengths	93.230, 93.230, 146.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.651
R-factor	0.228
Rwork	0.226
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h8k
RMSD bond length	0.015
RMSD bond angle	1.352
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.740
High resolution limit [Å]	2.650	5.700	2.650
Rmerge	0.061	0.028	0.978
Number of reflections	11518
<I/σ(I)>	11.1
Completeness [%]	99.8	99.5	98.7
Redundancy	18.9	17.3	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M Diammonium tartrate, 0.1M MES, 18% PEG 2000, 5% Ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K