5KYE

Crystal structure of USP7 catalytic domain [H294E] mutant in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 43
Unit cell lengths	99.550, 99.550, 83.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.892 - 1.970
R-factor	0.182
Rwork	0.180
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nbf
Data reduction software	MOSFLM (7.1.1)
Data scaling software	Aimless (0.2.8)
Phasing software	PHASER (1.10.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.892	53.890	2.020
High resolution limit [Å]	1.970	9.030	1.970
Rmerge	0.080	0.023	0.777
Number of reflections	57873
<I/σ(I)>	12.4
Completeness [%]	100.0	99.6	100
Redundancy	6	6.9	5.2
CC(1/2)	0.999	1.000	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.1M HEPES pH 7.5, 25% PEG3350, 0.2M Ammonium acetate