8D0A

Crystal structure of human USP30 in complex with a covalent inhibitor 829 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	42.229, 71.647, 148.456
Unit cell angles	90.00, 94.31, 90.00

Refinement procedure

Resolution	42.110 - 3.190
R-factor	0.2459
Rwork	0.243
R-free	0.29050
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]	42.110	3.430
High resolution limit [Å]	3.190	3.190
Rmerge	0.135	0.776
Number of reflections	14848	2656
<I/σ(I)>	8.6	1.7
Completeness [%]	98.9	98.8
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris pH 8.5, 22% PEG 4000, 4% 2,2,2-Trifluoroethanol