5ZQY

Crystal structure of a poly(ADP-ribose) glycohydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	43.880, 76.740, 48.530
Unit cell angles	90.00, 103.00, 90.00

Refinement procedure

Resolution	37.350 - 1.577
R-factor	0.1585
Rwork	0.157
R-free	0.17990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2foz
RMSD bond length	0.006
RMSD bond angle	0.918
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3092))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.577	1.580
Rmerge	0.061	0.207
Number of reflections	40881
<I/σ(I)>	15.8
Completeness [%]	96.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	MES pH 6.0, PEG MME 2000