8E0O

Heterotrimeric variant of tcTRP9, hetBGL03-15-18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-18
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.957, 61.662, 73.691
Unit cell angles	90.00, 100.19, 90.00

Refinement procedure

Resolution	29.460 - 2.100
R-factor	0.2387
Rwork	0.237
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	computationally generated
Data reduction software	Aimless
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.460	29.460	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.057	0.013	0.354
Rmeas	0.060	0.015	0.374
Rpim	0.019	0.006	0.118
Total number of observations	301984	2625	24709
Number of reflections	30580	422	2486
<I/σ(I)>	27.1	67.7	6
Completeness [%]	100.0	97.6	100
Redundancy	9.9	6.2	9.9
CC(1/2)	1.000	1.000	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG3350, 0.1M Bis-Tris pH 6.5, 0.2 M. Magnesium Chloride