2J4A

Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	77.212, 107.422, 67.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.200
R-factor	0.2297
Rwork	0.230
R-free	0.27290
Structure solution method	OTHER
RMSD bond length	0.000
RMSD bond angle	0.000
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.200
Rmerge	0.110
Number of reflections	14513
<I/σ(I)>	7.7
Completeness [%]	99.9
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.45 M AMMONIUMSULFATE, 100 MMTRIS PH8.0, 100MM NDSB