8E0L

Homotrimeric variant of tcTRP9, BGL06

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	2020-12-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	58.249, 78.885, 58.664
Unit cell angles	90.00, 118.29, 90.00

Refinement procedure

Resolution	43.210 - 2.100
R-factor	0.2134
Rwork	0.210
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	computationally generated
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.061	0.054	0.132
Rmeas	0.067	0.059	0.143
Rpim	0.026	0.024	0.054
Total number of observations	176681
Number of reflections	27416	1424	1363
<I/σ(I)>	18.3
Completeness [%]	99.8	99.7	99.5
Redundancy	6.4	6.2	6.7
CC(1/2)		0.998	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG-1000 phosphate-citrate pH 4.2 200 mM Li2SO4