8D1T

Crystal structure of human USP30 in complex with a covalent inhibitor 552 and a Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999990
Spacegroup name	P 1 21 1
Unit cell lengths	41.879, 71.721, 148.630
Unit cell angles	90.00, 93.98, 90.00

Refinement procedure

Resolution	40.700 - 2.940
R-factor	0.2391
Rwork	0.236
R-free	0.29420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohk 4m43
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.780	3.120
High resolution limit [Å]	2.940	2.940
Rmerge	0.145	0.932
Number of reflections	18857	2985
<I/σ(I)>	11	1.8
Completeness [%]	99.5	98.2
Redundancy	6.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Tris pH 8.5, 22% PEG 4000, 4% 1,3-Butanediol