1NQ1

TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	120
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	68.839, 68.839, 130.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.900
Rwork	0.239
R-free	0.26400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	THYROID HORMONE RECEPTOR BETA WITH TRIAC BOUND (unpublished data)
RMSD bond length	0.010 *
RMSD bond angle	1.430 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	80.000
High resolution limit [Å]	2.900 *
Rmerge	0.055 *
Total number of observations	54104 *
Number of reflections	13743 *
<I/σ(I)>	22.3
Completeness [%]	93.5 *
Redundancy	6.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	277	700 mM sodium acetate, 100mM Sodium Cacodylate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	20 (mM)	pH8.0
2	1	drop	dithiothreitol	3 (mM)
3	1	drop	protein	11.5 (mg/ml)
4	1	reservoir	sodium acetate	700 (mM)
5	1	reservoir	sodium cacodylate	100 (mM)	pH7.6