7QDT

Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9690
Spacegroup name	P 64 2 2
Unit cell lengths	143.328, 143.328, 88.502
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.060 - 3.000
R-factor	0.18555
Rwork	0.183
R-free	0.22754
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h79
RMSD bond length	0.016
RMSD bond angle	2.059
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (3.16.1)
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.060	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.135	0.700
Rmeas	0.139	0.721
Rpim	0.034	0.170
Number of reflections	11208	1764
<I/σ(I)>	22	5.3
Completeness [%]	100.0	100
Redundancy	16.5
CC(1/2)	0.999	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M Sodium Chloride, 0.1 M Tris pH 8.5, 1.0 M Lithium Sulphate