5ZDA

Crystal structure of poly(ADP-ribose) glycohydrolase (PARG) from Deinococcus radiodurans in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	45.096, 71.073, 72.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.209 - 1.548
R-factor	0.1708
Rwork	0.170
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sih
RMSD bond length	0.006
RMSD bond angle	0.813
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]	26.210	1.610
High resolution limit [Å]	1.548	1.550
Rmerge	0.057	0.487
Number of reflections	33721
<I/σ(I)>	19.53	4.391
Completeness [%]	97.7	100
Redundancy	7.8	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	283	0.2M Li2SO4, 0.1 M Bis-Tris pH 6.5, 25% PEG 3350