3BD9

human 3-O-sulfotransferase isoform 5 with bound PAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2006-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00015
Spacegroup name	P 43 21 2
Unit cell lengths	59.270, 59.270, 173.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 2.300
R-factor	0.205
Rwork	0.203
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Used murine 3OST1 inititally but for this data set a lower resolution structure of h3OST5 was used
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.104	0.500
Number of reflections	14589
<I/σ(I)>	11.1	4.4
Completeness [%]	100.0	100
Redundancy	9.2	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	100 mM sodium citrate pH 5.6, 35% (v/v) t-butanol, 4mM PAP, VAPOR DIFFUSION, SITTING DROP, temperature 295K