8XEP

Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 2
Unit cell lengths	200.951, 56.696, 100.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.190 - 2.950
R-factor	0.2182
Rwork	0.218
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.582
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.380	3.120
High resolution limit [Å]	2.950	2.950
Rmerge	0.139	0.831
Rmeas	0.153	0.910
Rpim	0.062	0.368
Total number of observations	146652	23533
Number of reflections	25049	3946
<I/σ(I)>	10.8	2.2
Completeness [%]	99.8
Redundancy	5.9	6
CC(1/2)	0.996	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	100 mM sodium acetate, pH 6.0, 160 mM ammonium sulfate, 21% PEG 4000, 20% glycerol