9DEO

USP7 in complex with macrocycle inhibitor MC08

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 PILATUS 6M
Wavelength(s)	1.00004
Spacegroup name	P 1 21 1
Unit cell lengths	75.195, 69.510, 77.309
Unit cell angles	90.00, 92.36, 90.00

Refinement procedure

Resolution	37.570 - 2.700
R-factor	0.2393
Rwork	0.237
R-free	0.29580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.541
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.570	2.540
High resolution limit [Å]	2.460	2.460
Rmerge	0.050	0.731
Number of reflections	16645	507
<I/σ(I)>	12.8	1.5
Completeness [%]	58.3	9.8
Redundancy	3.4	3.5
CC(1/2)	0.999	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	25% w/v PEG 1500, 0.1 M MMT pH 7