5VBD

Crystal structure of a putative UBL domain of USP9X

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-28
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97914
Spacegroup name	C 2 2 21
Unit cell lengths	46.723, 125.294, 29.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.2276
Rwork	0.227
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.426
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.058	0.046	0.857
Rmeas	0.061	0.048	0.902
Rpim	0.018	0.015	0.278
Total number of observations	166545
Number of reflections	14247
<I/σ(I)>	7.5
Completeness [%]	99.8	99.2	99.9
Redundancy	11.7	10.9	10.1
CC(1/2)		0.996	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% PEG 8000, 0.2 M NaCl, 0.1 M HEPES pH7.5, 5% MPD