7ZM0

Structure of UCHL1 in complex with GK13S 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	2020-10-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	101.926, 144.414, 158.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.500 - 2.240
R-factor	0.2413
Rwork	0.240
R-free	0.28780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2etl
RMSD bond length	0.003
RMSD bond angle	0.509
Data reduction software	xia2 (0.7.90)
Data scaling software	STARANISO (3.335 23)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.500	2.540
High resolution limit [Å]	2.240	2.240
Rmerge	0.053	0.457
Rmeas	0.057	0.499
Number of reflections	63622	3744
<I/σ(I)>	18	3.4
Completeness [%]	95.2	83
Redundancy	6.6	6.3
CC(1/2)	1.000	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.3 M ammonium sulphate, 110 mM K3PO4 and 90 mM K2HPO4