5ZDE

Crystal structure of poly(ADP-ribose) glycohydrolase (PARG) from Deinococcus radiodurans in complex with ADP-ribose (P3221)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	62.894, 62.894, 131.254
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.230 - 2.800
R-factor	0.1903
Rwork	0.182
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.988
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	phenix.refine (1.13_2998)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.234
High resolution limit [Å]	2.803
Rmerge	0.088
Number of reflections	7430
<I/σ(I)>	30.11
Completeness [%]	99.9
Redundancy	9.6

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