5ZDG

Crystal structure of poly(ADP-ribose) glycohydrolase (PARG) T267R mutant from Deinococcus radiodurans in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-03
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 32 2 1
Unit cell lengths	63.044, 63.044, 130.976
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.403 - 2.594
R-factor	0.192261801375
Rwork	0.186
R-free	0.25113
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.026
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.403	3.880
High resolution limit [Å]	2.594	3.530
Rmerge	0.054	0.579
Number of reflections	8901
<I/σ(I)>	29.84
Completeness [%]	99.9
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20 % 2-Propanol, 20% Polyethylene glycol 4000, 10 mM Hexammine cobalt (lll) chloride