1LHU

CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN COMPLEX WITH ESTRADIOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-16
Detector	MARRESEARCH
Wavelength(s)	0.9102
Spacegroup name	H 3 2
Unit cell lengths	103.638, 103.638, 84.492
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.800
Rwork	0.204
R-free	0.23700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1d2s
RMSD bond length	0.010 *
RMSD bond angle	1.580 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.032	0.280
Total number of observations	159431 *
Number of reflections	15751
Completeness [%]	96.6	70.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277 *	Grishkovskaya, I., (1999) Acta Crystallogr., D55, 2053. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop	imidazole-HCl	80 (mM)	pH7.5
3	1	drop		1 (mM)
4	1	drop	DHT	0.010 (mM)
5	1	reservoir	2-propanol	10 (%)
6	1	reservoir	PEG4000	20 (%)
7	1	reservoir	sodium HEPES	100 (mM)	pH7.5