8W43

X-ray crystal structure of V30M-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]	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	43.221, 84.189, 62.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.094 - 1.302
R-factor	0.1572
Rwork	0.156
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.799
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]	42.094	1.350
High resolution limit [Å]	1.300	1.300
Rmeas	0.045	0.691
Rpim	0.017	0.261
Number of reflections	56813	5541
<I/σ(I)>	19.8	2.6
Completeness [%]	99.6
Redundancy	7
CC(1/2)	0.999	0.885

Crystallization Conditions

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