8YQD

Crystal structure of human transthyretin variant A97S in complex with Tafamidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	85.303, 42.606, 63.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.250 - 1.690
R-factor	0.1978
Rwork	0.197
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.114
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.250	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.054	0.882
Rmeas	0.057	0.928
Rpim	0.018
Number of reflections	26616	2596
<I/σ(I)>	21.1	2.3
Completeness [%]	99.7
Redundancy	10.3
CC(1/2)	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	310	0.05 M Calcium chloride dihydrate +0.1 M Bis-Tris +25% PEG 550