8DMR

Legionella macrodomain effector MavL R370A in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 41
Unit cell lengths	95.557, 95.557, 54.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.210 - 1.860
R-factor	0.152
Rwork	0.151
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6omi
RMSD bond length	0.012
RMSD bond angle	1.219
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]	42.210	1.927
High resolution limit [Å]	1.860	1.860
Number of reflections	41115	4087
<I/σ(I)>	23.61
Completeness [%]	99.7
Redundancy	4.6
CC(1/2)	0.998	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350, 0.2 M ammonium sulfate