8GEQ

E. eligens beta-glucuronidase bound to ceritinib-glucuronide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 64 2 2
Unit cell lengths	179.728, 179.728, 134.542
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.930 - 2.750
R-factor	0.217
Rwork	0.215
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.246
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.930	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.027	0.346
Rmeas	0.038	0.489
Rpim	0.027	0.346
Number of reflections	33783	3311
<I/σ(I)>	14.21	2.09
Completeness [%]	99.9	99.8
Redundancy	2	2
CC(1/2)	0.999	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.07 M BICINE, pH 9.0, 1.4 % (w/v) 1,4-Dioxane, 7 % (w/v) PEG 20,000, and 30 % (v/v) glycerol