5UQX

USP7 in complex with GNE6776 (6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	76.355, 67.533, 76.861
Unit cell angles	90.00, 96.99, 90.00

Refinement procedure

Resolution	38.145 - 2.230
R-factor	0.1897
Rwork	0.188
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nb8
RMSD bond length	0.009
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.145	76.305	2.242
High resolution limit [Å]	2.230	10.362	2.234
Rmeas	0.211	0.072	1.111
Rpim	0.113	0.039	0.581
Number of reflections	37714
<I/σ(I)>	9.1
Completeness [%]	96.8	94.1	96
Redundancy	3.8	3.6	4
CC(1/2)	0.595	0.985	0.016

Crystallization Conditions

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