8ST9

Structure of E3 ligase NleL bound to ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	I 1 2 1
Unit cell lengths	76.269, 61.023, 116.188
Unit cell angles	90.00, 99.25, 90.00

Refinement procedure

Resolution	38.500 - 2.500
R-factor	0.2061
Rwork	0.204
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	Aimless (CCP4-7.1.015)
Phasing software	PHASER (CCP4-7.1.015)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.131	0.718
Number of reflections	18048	1998
<I/σ(I)>	6.2	1.6
Completeness [%]	98.1	96.8
Redundancy	3.1	3
CC(1/2)	0.989	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20% PEG 3350, 0.2 M KSCN, 0.1 M bis-tris propane pH 7.5, 20% glycerol, and 10% ethylene glycol