2FBR

Human transthyretin (TTR) complexed with bivalant amyloid inhibitor (4 carbon linker)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-27
Detector	SBC-3
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	42.599, 84.355, 65.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.260 - 1.460
R-factor	0.21076
Rwork	0.210
R-free	0.22356
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bmz
RMSD bond length	0.018
RMSD bond angle	1.721
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.260	1.498
High resolution limit [Å]	1.460	1.460
Number of reflections	38794
Completeness [%]	97.7	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	TTR bivalent inhibitor complexes of 1:1 stoichiometry resulting from coassembly at 5-7 mg/mL (95-133 microM in 100 mM KCl, 1 mM EDTA, 10 mM sodium phosphate, 0.35-0.50 M ammonium sulfate equilibrated against 2 M ammonium sulfate, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 289K