35TM

Structure of RyDEP-3'cADPR complex in post-reaction state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97905
Spacegroup name	P 21 21 21
Unit cell lengths	60.825, 67.199, 68.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.900 - 1.650
R-factor	0.185
Rwork	0.183
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.338
Data reduction software	RAPD
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.300	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	34402	1680
<I/σ(I)>	8
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.998	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M KSCN, 20% (w/v) PEG-3350