9DEN

USP7 in complex with macrocycle MC07

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	PIXEL
Collection date	2022-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00004
Spacegroup name	P 1 21 1
Unit cell lengths	75.362, 69.675, 77.617
Unit cell angles	90.00, 94.36, 90.00

Refinement procedure

Resolution	41.660 - 2.930
R-factor	0.2258
Rwork	0.224
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.704
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.660	3.035
High resolution limit [Å]	2.930	2.930
Rmerge	0.063	0.430
Rmeas	0.074	0.510
Rpim	0.040	0.260
Number of reflections	17031	1707
<I/σ(I)>	11.71	2.46
Completeness [%]	97.0	97.92
Redundancy	3.5
CC(1/2)	0.998	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	25% w/v PEG 1500 and 0.1 M MMT (malic acid, MES, Tris) buffer pH 7