8W42

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

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	43.168, 84.044, 62.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.906 - 1.450
R-factor	0.1542
Rwork	0.153
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.769
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]	35.550	1.500
High resolution limit [Å]	1.450	1.450
Rmeas	0.040	0.731
Rpim	0.015	0.262
Number of reflections	41097	3961
<I/σ(I)>	24	3
Completeness [%]	99.7
Redundancy	7.3
CC(1/2)	1.000	0.905

Crystallization Conditions

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