2OFW

Crystal structure of the APSK domain of human PAPSS1 complexed with 2 APS molecules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9594
Spacegroup name	C 1 2 1
Unit cell lengths	181.190, 69.030, 150.610
Unit cell angles	90.00, 116.61, 90.00

Refinement procedure

Resolution	10.000 - 2.050
R-factor	0.223
Rwork	0.217
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id 1M7G
RMSD bond length	0.011
RMSD bond angle	1.729
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.095	0.301
Number of reflections	101698
<I/σ(I)>	12.4	4.36
Completeness [%]	83.6	92.8
Redundancy	3.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	reservoir: 18-20% PEG 3350, 0.25 M calcium acetate protein solution: 5-8 mg/ml protein, 3 mM APS, 5 mM MgCl2, 50 mM Tris pH 7.5, 50 mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K