8DMS

Crystal structure of Legionella pneumophila macrodomain MavL in complex with ubiquitin vinyl methyl ester soaked with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	108.957, 108.957, 209.546
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.100 - 2.150
R-factor	0.174
Rwork	0.173
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6omi 1ubq
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]	39.100	2.227
High resolution limit [Å]	2.150	2.150
Number of reflections	78969	7800
<I/σ(I)>	11.47
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.998	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium citrate, 20% w/v PEG 3350