5UQV

USP7 in complex with GNE6640 (4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl)phenol)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	75.788, 68.435, 76.739
Unit cell angles	90.00, 95.45, 90.00

Refinement procedure

Resolution	43.540 - 2.840
R-factor	0.242
Rwork	0.239
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nb8
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.540	75.445	2.853
High resolution limit [Å]	2.800	13.176	2.844
Rmerge	0.052	0.020	0.491
Rmeas	0.061	0.024	0.572
Rpim	0.032	0.013	0.292
Number of reflections	17893
<I/σ(I)>	15.7
Completeness [%]	96.3	92.3	98.5
Redundancy	3.6	3.3	3.8

Crystallization Conditions

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