8II3

Crystal structure of V30M-TTR in complex with 6-hydroxy BID

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)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	43.416, 85.578, 63.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.789 - 1.399
R-factor	0.1892
Rwork	0.188
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.186
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]	42.790	1.450
High resolution limit [Å]	1.399	1.400
Rmeas	0.053	0.694
Number of reflections	47735	4697
<I/σ(I)>	17.9	2.5
Completeness [%]	99.8
Redundancy	6.47
CC(1/2)	0.999	0.840

Crystallization Conditions

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