2D06

Human Sult1A1 Complexed With Pap and estradiol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-09-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	123.640, 86.070, 72.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.770 - 2.300
R-factor	0.463
Rwork	0.217
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ls6
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	TRUNCATE
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.770	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.094	0.442
Number of reflections	35123
<I/σ(I)>	6.1	2.2
Completeness [%]	99.5	99.8
Redundancy	3.01	2.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Tris-HCl, 20% PEG 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K