9DFQ

PARP4 BRCT domain F39Q mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.2
Spacegroup name	F 2 3
Unit cell lengths	115.210, 115.210, 115.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.480 - 2.100
R-factor	0.18303
Rwork	0.181
R-free	0.22996
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.283
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	7499	610
<I/σ(I)>	32.1
Completeness [%]	99.9
Redundancy	8.8	9
CC(1/2)	1.000	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2 M ammonium sulfate and 0.1 M sodium acetate pH 4.6