9RFD

Human ADP-ribosylhydrolase 3 (ARH3) in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1
Unit cell lengths	44.790, 65.760, 69.920
Unit cell angles	116.40, 94.79, 103.73

Refinement procedure

Resolution	34.765 - 1.850
R-factor	0.162
Rwork	0.161
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.339
Data reduction software	XDS (Jun 30, 2024)
Data scaling software	XSCALE (Jun 30, 2024)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.765	1.898
High resolution limit [Å]	1.850	1.850
Rmerge	0.105	0.523
Rmeas	0.122	0.608
Rpim	0.062	0.309
Number of reflections	55923	3577
<I/σ(I)>	9.2	2.1
Completeness [%]	96.7	84.3
Redundancy	3.9	3.8
CC(1/2)	0.995	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	15% (w/v) PEG 4000, 10% (v/v) DMSO, 0.1 M ammonium sulfate, 0.1 M sodium acetate buffer