8RQN

Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	P 31 2 1
Unit cell lengths	68.563, 68.563, 129.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.380 - 2.880
R-factor	0.2179
Rwork	0.216
R-free	0.26237
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.426
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.380	3.010
High resolution limit [Å]	2.880	2.880
Rmeas	0.057
Rpim	0.016	0.871
Number of reflections	7714	386
<I/σ(I)>	22.4	0.8
Completeness [%]	91.9
Redundancy	12
CC(1/2)	1.000	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.40 M NaAcetate, 0.10 M NaCacodylate pH 7.0