8II4

Crystal structure of V30M-TTR in complex with 6-hydroxy 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	2020-10-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.915
Spacegroup name	P 21 21 2
Unit cell lengths	43.264, 85.656, 63.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.437 - 1.499
R-factor	0.1835
Rwork	0.183
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.058
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]	38.620	1.550
High resolution limit [Å]	1.499	1.499
Rmeas	0.080	0.733
Number of reflections	38780	3764
<I/σ(I)>	14.3	2.9
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.997	0.856

Crystallization Conditions

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