8HJE

Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	H 3 2
Unit cell lengths	105.099, 105.099, 327.422
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.850 - 2.850
R-factor	0.22372
Rwork	0.222
R-free	0.25429
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.597
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	REFMAC (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.850	2.953
High resolution limit [Å]	2.850	2.851
Number of reflections	16695	1629
<I/σ(I)>	20.76
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	291	0.1 M Bis-tris propane pH 6.4, 0.2 M potassium thiocyanate, 20% PEG3350 and 3% sucrose