8E12

Homotrimeric variant of tcTRP9, BGL14

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	2021-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	59.330, 59.330, 260.327
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.790 - 3.000
R-factor	0.2844
Rwork	0.281
R-free	0.32140
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 (1.20rc1_4392)

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	0.114	0.071	0.730
Rmeas	0.117	0.073	0.807
Rpim	0.028	0.019	0.327
Total number of observations	163757
Number of reflections	10242	691	261
<I/σ(I)>	6.8
Completeness [%]	88.3	100	46.6
Redundancy	16	14.8	5.3
CC(1/2)		0.998	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15% (w/v) PEG 3350, 0.1 M Magnesium formate dihydrate