5ZDD

Crystal structure of poly(ADP-ribose) glycohydrolase (PARG) from Deinococcus radiodurans in complex with ADP-ribose (P212121)

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 21 21 21
Unit cell lengths	42.713, 56.944, 97.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.976 - 2.725
R-factor	0.1707
Rwork	0.162
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.079
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]	27.976	2.850
High resolution limit [Å]	2.725	2.750
Rmerge	0.117	0.336
Number of reflections	6555
<I/σ(I)>	13.623	2.868
Completeness [%]	98.6	90.7
Redundancy	5.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.1 M Sodium citrate tribasic dihydrate pH 6.0, 10% 2-Propanol, 10% Polyethylene glycol 4000