9DEM

USP7 in complex with macrocycle MC04

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	113.474, 67.709, 71.617
Unit cell angles	90.00, 125.22, 90.00

Refinement procedure

Resolution	35.730 - 1.770
R-factor	0.1905
Rwork	0.187
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.250
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.510	1.945
High resolution limit [Å]	1.770	1.770
Rmerge	0.097	0.882
Rmeas	0.115	0.974
Rpim	0.061	0.515
Number of reflections	28314	1416
<I/σ(I)>	6.6	1.4
Completeness [%]	65.9	13.8
Redundancy	3.5	3.4
CC(1/2)	0.991	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	20% v/v 2-Propanol, 0.1M Tris pH 8.0 and 5% PEG 8000