6NZG

Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	74.536, 142.407, 180.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.460 - 2.430
R-factor	0.172
Rwork	0.170
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uj6
RMSD bond length	0.008
RMSD bond angle	1.001
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.460	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.146	0.859
Number of reflections	73051
<I/σ(I)>	15.9	2.8
Completeness [%]	99.7	99.5
Redundancy	13	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG 3350, 0.2 M KCl, 120 uM activity-based probe, 100 uM Bu2GUS