5VS6

Structure of DUB complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	75.800, 68.520, 80.310
Unit cell angles	90.00, 96.17, 90.00

Refinement procedure

Resolution	58.005 - 2.270
R-factor	0.1842
Rwork	0.182
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.010	58.020	2.310
High resolution limit [Å]	2.270	6.160	2.270
Rmeas	0.147	0.033	1.148
Rpim	0.076	0.018	0.593
Total number of observations	139898
Number of reflections	37847
<I/σ(I)>	11	29.3	1.5
Completeness [%]	99.5	99.3	99.5
Redundancy	3.7	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, NaFormate