8DMU

Crystal structure of macrodomain CG3568 from Drosophila melanogaster in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	104.048, 129.805, 199.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.250 - 2.000
R-factor	0.2338
Rwork	0.232
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold AT21585p
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.250	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	182007	17977
<I/σ(I)>	9.41
Completeness [%]	99.8
Redundancy	5.6
CC(1/2)	0.998	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl, pH 8.5, 1 M lithium sulfate, 0.01 M nickel (II) chloride