8E0M

Homotrimeric variant of tcTRP9, BGL15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	105.808, 83.248, 119.842
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	68.340 - 4.000
R-factor	0.2817
Rwork	0.279
R-free	0.32580
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]	105.660	105.660	3.420
High resolution limit [Å]	3.330	14.890	3.330
Rmerge	0.077	0.060	1.544
Rmeas	0.084	0.065	1.682
Rpim	0.033	0.025	0.659
Total number of observations		2417	14428
Number of reflections	34390	375	2249
<I/σ(I)>	11	30.9	1.3
Completeness [%]	100.0	99.5	100
Redundancy	6.4	6.4	6.4
CC(1/2)	0.999	0.998	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% (v/v) PEG-400, Tris pH 8.5, 200 mM MgCl2