5KYD

Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin

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	CCD
Collection date	2016-05-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	62.050, 80.470, 86.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.160 - 1.620
R-factor	0.1756
Rwork	0.174
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nb8 1ubq
RMSD bond length	0.006
RMSD bond angle	0.866
Data reduction software	MOSFLM (7.1.1)
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER (1.10.1)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.160	27.160	1.640
High resolution limit [Å]	1.620	8.700	1.625
Rmerge	0.080	0.044	0.997
Number of reflections	55856
<I/σ(I)>	10.3
Completeness [%]	99.4	97	93.8
Redundancy	5.8	6.1	5.7
CC(1/2)	0.998	0.997	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	0.2M Ammonium fluoride, 20% PEG3350