5KYC

Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin (malonate bound)

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	2016-03-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	116.330, 43.540, 84.760
Unit cell angles	90.00, 107.55, 90.00

Refinement procedure

Resolution	40.529 - 1.426
R-factor	0.1707
Rwork	0.170
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nb8 1ubq
RMSD bond length	0.009
RMSD bond angle	0.966
Data reduction software	MOSFLM (7.1.1)
Data scaling software	Aimless (0.2.8)
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]	40.530	40.530	1.450
High resolution limit [Å]	1.426	7.680	1.430
Rmerge	0.073	0.052	0.384
Number of reflections	75388
<I/σ(I)>	8.3
Completeness [%]	99.5	99.6	99.2
Redundancy	3	3.3	2.7
CC(1/2)	0.994	0.993	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	292	8% tacsimate pH 4.0, 20% PEG3350