8OYP

Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-19
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999995
Spacegroup name	P 21 21 2
Unit cell lengths	94.321, 186.102, 75.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 2.440
R-factor	0.173
Rwork	0.170
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.000	48.000	2.520
High resolution limit [Å]	2.440	9.760	2.440
Rmerge	0.404	0.059	2.782
Rmeas	0.420	0.061	2.891
Rpim	0.114	0.017	0.782
Total number of observations	675489	11380	60034
Number of reflections	50488	908	4515
<I/σ(I)>	7.6	35.7	1.1
Completeness [%]	99.8	99.2	98.4
Redundancy	13.4	12.5	13.3
CC(1/2)	0.988	0.998	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	100 mM Tris/Bicine pH 8.5, 30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulphate, 11.25% v/v MPD; 11.25% PEG 1000; 11.25% w/v PEG 3350 with 5 mM CdCl2