7L9H

Crystal structure of human ARH3-D77A bound to magnesium and ADP-ribose

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	2018-11-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 1
Unit cell lengths	44.702, 71.611, 115.928
Unit cell angles	94.24, 94.58, 107.62

Refinement procedure

Resolution	61.290 - 1.850
R-factor	0.1825
Rwork	0.180
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d36
RMSD bond length	0.012
RMSD bond angle	1.237
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.290	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.077	0.290
Number of reflections	103770	10511
<I/σ(I)>	8.32	2.7
Completeness [%]	89.5
Redundancy	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M sodium acetate buffer pH 4.5, 0.1 M MgCl2, and 22 % polyethylene glycol (PEG) 4000