8GES

R. hominis 2 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	2021-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	100.414, 145.950, 281.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.960 - 2.700
R-factor	0.2323
Rwork	0.231
R-free	0.28250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.960	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.077	0.764
Rmeas	0.109	1.081
Rpim	0.077	0.764
Number of reflections	113475	11246
<I/σ(I)>	7.37	1.13
Completeness [%]	99.3	99.5
Redundancy	2	2
CC(1/2)	0.994	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.17 M Ammonium Acetate, 0.085M Sodium Citrate:HCl, pH 5.6 and 25.5 % (w/v) PEG 4000, 15 % (v/v) glycerol