5WHC

USP7 in complex with Cpd2 (4-(3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl)phenol)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-01-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	76.292, 69.279, 77.070
Unit cell angles	90.00, 95.00, 90.00

Refinement procedure

Resolution	76.776 - 2.548
R-factor	0.2113
Rwork	0.209
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nb8
RMSD bond length	0.002
RMSD bond angle	0.534
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2747))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.776	76.776	2.557
High resolution limit [Å]	2.548	11.813	2.548
Rmeas	0.045	0.030	0.723
Rpim	0.024	0.017	0.384
Number of reflections	25643
<I/σ(I)>	20
Completeness [%]	97.2	100	96.5
Redundancy	3.3	3.2	3.4
CC(1/2)	0.997	0.988	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	PEG 1000, 0.1M Tris-HCl 7.0