1NAX

Thyroid receptor beta1 in complex with a beta-selective ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2002-09-20
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	76.520, 107.743, 66.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.700
Rwork	0.196
R-free	0.23700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	19.800 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNX (2000.1)
Refinement software	CNX (2000.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.850
High resolution limit [Å]	2.700 *	2.700
Rmerge	0.087 *	0.290 *
Total number of observations	104179 *
Number of reflections	7890 *
<I/σ(I)>	7.9	2.6
Completeness [%]	97.7	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	ammonium sulphate, TRIS, NDSB-201, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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	1.95 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.0
4	1	reservoir	NDSB-201	50 (mM)