8PW1

Structure of human UCHL1 in complex with CG341 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	69.629, 77.753, 126.465
Unit cell angles	94.09, 104.06, 113.80

Refinement procedure

Resolution	51.610 - 2.200
R-factor	0.2295
Rwork	0.227
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	xia2 (3.10.0)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.610	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.048	0.875
Rmeas	0.057	1.036
Number of reflections	115147	11238
<I/σ(I)>	11.2	1.5
Completeness [%]	98.1
Redundancy	3.6	3.5
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.49 M ammonium sulfate, 85 mM trisodium citrate