8W44

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

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	43.226, 84.334, 62.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.628 - 1.399
R-factor	0.1532
Rwork	0.152
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.890
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]	35.630	1.450
High resolution limit [Å]	1.399	1.400
Rmeas	0.076	0.784
Rpim	0.028	0.283
Number of reflections	46133	4486
<I/σ(I)>	15.6	3.1
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.997	0.887

Crystallization Conditions

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