1EFH

CRYSTAL STRUCTURE OF THE HUMAN HYDROXYSTEROID SULFOTRANSFERASE IN THE PRESENCE OF PAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	93
Detector technology	CCD
Collection date	1999-08-27
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	73.190, 96.820, 127.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.204
Rwork	0.202
R-free	0.23900
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.050	0.146
Total number of observations	113997 *
Number of reflections	34110 *
<I/σ(I)>	15.3
Completeness [%]	94.4	86.9
Redundancy	3.34	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	300	0.8 M citrate, 80 mM cacodylate, 4 mM PAP, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	25 (mg/ml)
2	1	2	HEPES	25 (mM)
3	1	2	PAP	4 (mM)
4	1	2	citrate	0.8 (M)
5	1	2	cacodylate	80 (mM)