9BQ0

Complex structure of protein crystal of Tri17 with ATP

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	2023-05-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 2 21
Unit cell lengths	87.095, 152.331, 229.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.440 - 2.900
R-factor	0.2809
Rwork	0.278
R-free	0.32980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.560
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.440	3.004
High resolution limit [Å]	2.900	2.900
Rmerge		1.285
Rmeas	0.221
Rpim	0.066	0.406
Number of reflections	68521	6771
<I/σ(I)>	8.98	1.82
Completeness [%]	99.5
Redundancy	10.9
CC(1/2)	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M NaoAC, 25% PEG3350, 0.1mM ATP, 0.2M MgSO4,0.1mM DTT