9SZN

Crystal structure of the catalytic domain of USP7 in complex with Compound 43

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	2021-12-15
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	51.890, 141.000, 124.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.650 - 1.990
R-factor	0.1859
Rwork	0.184
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.971
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]	45.340	2.110
High resolution limit [Å]	1.990	1.990
Rmerge	0.159	1.584
Rmeas	0.172	1.701
Number of reflections	31624	4939
<I/σ(I)>	11.46	1.16
Completeness [%]	99.6	97.8
Redundancy	7.3	7.62
CC(1/2)	0.997	0.555

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