7KG6

Structure of human PARG complexed with PARG-322

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	2020-08-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	66.585, 88.965, 94.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.150 - 1.960
R-factor	0.1741
Rwork	0.172
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b1g
RMSD bond length	0.005
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.150	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.103	0.692
Rmeas	0.108	0.724
Rpim	0.032	0.212
Number of reflections	41080	4054
<I/σ(I)>	14.94	3.89
Completeness [%]	99.9	100
Redundancy	11	11.4
CC(1/2)	0.998	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 M PCTP, pH 7.5, 0.2 M AmSO4, 18-23% PEG3350