8W47

X-ray crystal structure of V30M-TTR in complex with isorhapontigenin

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]	100
Detector technology	PIXEL
Collection date	2022-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	43.319, 84.150, 63.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.075 - 1.400
R-factor	0.152
Rwork	0.151
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.080	1.450
High resolution limit [Å]	1.400	1.400
Rmeas	0.045	0.666
Rpim	0.017	0.241
Number of reflections	46250	4521
<I/σ(I)>	22.7	3
Completeness [%]	99.9
Redundancy	7.36
CC(1/2)	0.999	0.881

Crystallization Conditions

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