8II2

Crystal structure of V30M-TTR in complex with BBM

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	2020-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.92
Spacegroup name	P 21 21 2
Unit cell lengths	42.675, 85.109, 64.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.573 - 1.798
R-factor	0.1918
Rwork	0.189
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.968
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]	38.150	1.860
High resolution limit [Å]	1.798	1.800
Rmeas	0.069	0.835
Number of reflections	22373	2150
<I/σ(I)>	14.9	2.3
Completeness [%]	99.5
Redundancy	5.5
CC(1/2)	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 400, CaCl2, Sodium acetate