6TX3

HPF1 bound to catalytic fragment of PARP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 61
Unit cell lengths	115.622, 115.622, 143.607
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.275 - 2.960
R-factor	0.2307
Rwork	0.229
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Apo human HPF1
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_3126)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.130	3.070
High resolution limit [Å]	2.960	2.960
Rmerge	0.070	1.200
Number of reflections	45403	4528
<I/σ(I)>	14	1.2
Completeness [%]	100.0	99.35
Redundancy	10.41	10.77
CC(1/2)	1.000	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M MES pH 6, 25% v/v pentaerythritol propoxylate (5/4 PO/OH)