4X52

Human PARP13 (ZC3HAV1), C-Terminal PARP Domain (H810N; N830Y variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-29
Detector	MAR CCD 165 mm
Wavelength(s)	0.90770
Spacegroup name	C 1 2 1
Unit cell lengths	110.930, 50.000, 153.630
Unit cell angles	90.00, 93.48, 90.00

Refinement procedure

Resolution	29.700 - 2.080
R-factor	0.2142
Rwork	0.213
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 2x5y
RMSD bond length	0.012
RMSD bond angle	1.070
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.084
Number of reflections	50705
<I/σ(I)>	14.5	1.5
Completeness [%]	99.4	95.4
Redundancy	4.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	277	25% PEG3350, 0.4M Ammonium sulfate, 0.1M Bis-Tris, 10mM 3-Aminobenzamide