7XHH

High-resolution X-ray cocrystal structure of USP7 in complex with X4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	76.034, 68.904, 81.788
Unit cell angles	90.00, 100.32, 90.00

Refinement procedure

Resolution	34.450 - 2.100
R-factor	0.197
Rwork	0.196
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m1k
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.082	0.050	0.728
Rmeas	0.089	0.055	0.810
Rpim	0.035	0.022	0.347
Total number of observations	295466
Number of reflections	48351	2521	2225
<I/σ(I)>	5.2
Completeness [%]	99.4	99.8	91.6
Redundancy	6.1	6.5	4.3
CC(1/2)		0.998	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.1M Tris (hydroxymethyl)aminomethane hydrochloride, pH 7.0, 20% (v/v) PEG 1000