5WCH

Crystal structure of the catalytic domain of human 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	CCD
Collection date	2015-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 1 21 1
Unit cell lengths	79.372, 79.048, 131.933
Unit cell angles	90.00, 103.76, 90.00

Refinement procedure

Resolution	50.010 - 2.500
R-factor	0.2084
Rwork	0.207
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.226
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.125	0.064	0.863
Rmeas	0.140	0.071	0.983
Rpim	0.063	0.031	0.463
Total number of observations	239510
Number of reflections	52761		2623
<I/σ(I)>	6.4
Completeness [%]	96.4	98.8	95.6
Redundancy	4.5	4.8	4.2
CC(1/2)		0.996	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG 3350, 0.2 M Diammonium tartrate