8TF7

Apo structure of protein crystal of Tri17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 41 21 2
Unit cell lengths	105.992, 105.992, 235.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.340 - 2.450
R-factor	0.2179
Rwork	0.216
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.597
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.340	2.530
High resolution limit [Å]	2.450	2.450
Rmerge	0.186	1.665
Rmeas	0.191	1.710
Rpim	0.044	0.388
Total number of observations	937072	88254
Number of reflections	50341	4566
<I/σ(I)>	17.6	2.1
Completeness [%]	100.0
Redundancy	18.6	19.3
CC(1/2)	0.999	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	20% PEG3350, 100 mM KSCN, 100 mM Tris pH 8.0