9TCB

Catalytic domain of human PARP15 in complex with BAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	45.150, 68.510, 159.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.483 - 1.900
Rwork	0.182
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.455
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	XSCALE (Jun 30, 2023)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.483	1.949
High resolution limit [Å]	1.900	1.900
Rmerge	0.117	0.882
Rmeas	0.122	0.923
Rpim	0.033	0.268
Number of reflections	39921	2916
<I/σ(I)>	13.7	2.1
Completeness [%]	99.9	100
Redundancy	13.2	11.7
CC(1/2)	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	278	20% (w/v) PEG 3350, 0.2 M ammonium chloride No pH buffer in the crystallisation solution; protein stock contained 30 mM Hepes at pH 7.5