1NAV

Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-27
Detector	MARRESEARCH
Wavelength(s)	0.8013
Spacegroup name	P 65 2 2
Unit cell lengths	109.319, 109.319, 134.652
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.500
Rwork	0.246
R-free	0.27900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	19.700 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNX (2000.1)
Refinement software	CNX (2000.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.051 *	0.432 *
Total number of observations	380750 *
Number of reflections	17266
<I/σ(I)>	38	3.9
Completeness [%]	99.2	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	ammonium sulphate, sodium citrate, lithium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 20K, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	ammonium sulfate	0.15 (M)
3	1	reservoir	sodium citrate	0.03 (M)	pH5.6
4	1	reservoir	lithium sulfate	0.3 (M)