6TI9

Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.919491
Spacegroup name	P 21 21 2
Unit cell lengths	43.130, 85.810, 63.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.584 - 1.450
R-factor	0.1561
Rwork	0.155
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e23
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.460
High resolution limit [Å]	1.450	1.450
Number of reflections	42796	60556
<I/σ(I)>	1.96
Completeness [%]	99.9
Redundancy	8.1
CC(1/2)	1.000	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Protein: 4.93 mg/mL, Tris pH 8.0, 150mM NaCl. Precipitant: 24% PEG 600, 0.2M imidazole malate pH 5.5.