8P14

USP28 USP domain in complex with Vismodegib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.873
Spacegroup name	H 3 2
Unit cell lengths	106.634, 106.634, 329.857
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.460 - 2.570
R-factor	0.1939
Rwork	0.193
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h4i
RMSD bond length	0.005
RMSD bond angle	0.811
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.970	2.680
High resolution limit [Å]	2.570	2.570
Number of reflections	44538	2825
<I/σ(I)>	13.5
Completeness [%]	99.9
Redundancy	19.1
CC(1/2)	0.999	0.402

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.05 M NaCl 0.1 M Li2SO4 0.1 M MES pH 6.4 14% PEG4000