8DB9

Adenosine/guanosine nucleoside hydrolase bound to inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	P 1
Unit cell lengths	50.406, 75.382, 88.856
Unit cell angles	65.47, 80.79, 87.32

Refinement procedure

Resolution	38.130 - 2.890
R-factor	0.265
Rwork	0.260
R-free	0.34110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model
RMSD bond length	0.011
RMSD bond angle	1.253
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.130	2.993
High resolution limit [Å]	2.890	2.890
Rmerge	0.192	0.129
Rmeas	0.220	0.149
Rpim	0.105	0.738
Number of reflections	23552	2425
<I/σ(I)>	6.9	1.1
Completeness [%]	87.9	88.09
Redundancy	4.2	3.7
CC(1/2)	0.988	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	0.2 M ammonium sulfate, 25% PEG-3350, and 0.1 M Bis-tris, pH 5.5