7F41

PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE

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	2020-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	45.313, 68.498, 158.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.340 - 1.397
R-factor	0.196927035747
Rwork	0.196
R-free	0.21767
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blj
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.340	1.430
High resolution limit [Å]	1.397	1.400
Number of reflections	874703	84652
<I/σ(I)>	34.6
Completeness [%]	85.8
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM HEPES buffer,pH6.5, 22%PEG 3350, 20% glycerol