8AWW

Transthyretin conjugated with a tafamidis derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-03
Detector	Bruker PHOTON III
Wavelength(s)	1.541
Spacegroup name	P 21 21 2
Unit cell lengths	43.480, 85.340, 63.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.470 - 1.600
R-factor	0.1795
Rwork	0.178
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tct
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.470	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.080	0.900
Number of reflections	31504	2783
<I/σ(I)>	22.2	2
Completeness [%]	98.2	88.6
Redundancy	12.2
CC(1/2)	1.000	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1.4 M sodium citrate