9OUF

Crystal structure of an ADP-ribosyl hydrolase from Streptococcus parasanguinis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	57.185, 59.151, 40.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.180 - 1.390
R-factor	0.1713
Rwork	0.170
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.943
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.180	1.460
High resolution limit [Å]	1.390	1.390
Rmerge	0.117	1.271
Rmeas	0.129	1.429
Rpim	0.052	0.640
Number of reflections	28170	3879
<I/σ(I)>	9.7	1.6
Completeness [%]	99.4	95.8
Redundancy	11.2	8.6
CC(1/2)	0.998	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M ammonium acetate, 0.1 M BisTrisHCl pH 5.5, 17 % PEG 10,000