8GEN

E. eligens beta-glucuronidase bound to UNC10201652-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	2021-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 64 2 2
Unit cell lengths	180.304, 180.304, 133.566
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.500 - 2.940
R-factor	0.2507
Rwork	0.248
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.843
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	3.050
High resolution limit [Å]	2.940	2.940
Rmerge	0.155	1.874
Rmeas	0.166	2.014
Rpim	0.058	0.717
Number of reflections	25959	2482
<I/σ(I)>	10.83	1.16
Completeness [%]	93.5	90.81
Redundancy	7.2	7
CC(1/2)	0.996	0.361

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