6TJN

Human transthyretin (TTR) complexed with (E)-3-(((4-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	2019-07-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 2
Unit cell lengths	43.190, 85.870, 63.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.584 - 1.702
R-factor	0.1753
Rwork	0.174
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tq8
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUSTER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.720
High resolution limit [Å]	1.700	1.710
Number of reflections	26756	52925
<I/σ(I)>	14.62
Completeness [%]	99.8
Redundancy	6
CC(1/2)	0.990	0.740

Crystallization Conditions

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