9SZO

Crystal structure of the catalytic domain of USP7 in complex with Compound 13

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	51.820, 140.910, 124.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 2.570
R-factor	0.2317
Rwork	0.229
R-free	0.27950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.622
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	2.720
High resolution limit [Å]	2.570	2.570
Rmerge	0.316	1.702
Rmeas	0.341	1.851
Number of reflections	14483	2064
<I/σ(I)>	5.65	1.05
Completeness [%]	96.4
Redundancy	7.05
CC(1/2)	0.979	0.387

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	8 % w/v PEG 20,000/8 % v/v PEG 550 MME; 0.1 M Sodium acetate pH 4.5; 0.25 M Potassium bromide