1NUO

Two RTH Mutants with Impaired Hormone Binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 31 2 1
Unit cell lengths	67.274, 67.274, 130.121
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.257
Rwork	0.252
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Thyroid Hormone Receptor Beta LBD with Triac bound (unpublished)
RMSD bond length	0.004 *
RMSD bond angle	1.690 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	3.100 *
Rmerge	0.051 *
Total number of observations	80196 *
Number of reflections	6382 *
<I/σ(I)>	19.77
Completeness [%]	96.7 *
Redundancy	7.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	277	800 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	800 (mM)
5	1	reservoir	sodium cacodylate	100 (mM)