8E0N

Homotrimeric variant of tcTRP9, BGL18

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 32
Unit cell lengths	97.794, 97.794, 133.916
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.900 - 3.000
R-factor	0.2107
Rwork	0.207
R-free	0.25940
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.192	0.059	1.224
Rmeas	0.202	0.062	1.292
Rpim	0.063	0.019	0.412
Total number of observations	295298
Number of reflections	28533	1430	1397
<I/σ(I)>	3.4
Completeness [%]	100.0	100	100
Redundancy	10.3	10.5	9.8
CC(1/2)		0.999	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% (v/v) PEG-400 CAPS pH 10.5