8W48

Neutron and X-ray joint structure of WT-TTR in complex with piceatannol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	43.670, 85.014, 65.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.784 - 1.900
R-factor	0.1797
Rwork	0.178
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	0.917

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.510	1.970	1.230
High resolution limit [Å]	1.190	1.900	1.190
Rmeas	0.040	0.646	0.876
Rpim	0.016	0.315	0.352
Number of reflections	78555	1845	7638
<I/σ(I)>	23.8	2.7	2.3
Completeness [%]	99.8
Redundancy	6.3
CC(1/2)	0.999	0.556	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Disodium malonate, 0.1M NaOAc pH 4.6
1	VAPOR DIFFUSION, SITTING DROP		293	Disodium malonate, 0.1M NaOAc pH 4.6