8DB8

Adenosine/guanosine nucleoside hydrolase bound to ImH

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	2021-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	P 1
Unit cell lengths	51.025, 76.480, 86.636
Unit cell angles	75.48, 81.67, 86.50

Refinement procedure

Resolution	37.380 - 2.210
R-factor	0.2226
Rwork	0.221
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model
RMSD bond length	0.004
RMSD bond angle	0.726
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]	37.380	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.114	0.571
Rmeas	0.123	0.682
Rpim	0.044	0.599
Number of reflections	56341	5733
<I/σ(I)>	14	1.4
Completeness [%]	89.7	91
Redundancy	7.8	7.8
CC(1/2)	0.999	0.646

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