8DHE

Tannerella forsythia beta-glucuronidase (mL1)

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	2020-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03318
Spacegroup name	P 1 21 1
Unit cell lengths	100.442, 139.647, 109.821
Unit cell angles	90.00, 94.50, 90.00

Refinement procedure

Resolution	51.710 - 2.200
R-factor	0.2055
Rwork	0.205
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cmg
Data reduction software	XDS (20200131)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	109.480	109.480	2.240
High resolution limit [Å]	2.200	12.050	2.200
Rmerge	0.096	0.016	0.662
Rmeas	0.129	0.022	0.900
Rpim	0.087	0.015	0.606
Total number of observations	288354	1786	13608
Number of reflections	147811	948	7206
<I/σ(I)>	4.6	18.1	0.8
Completeness [%]	96.9	96.8	95.8
Redundancy	2	1.9	1.9
CC(1/2)	0.993	0.999	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	6% (w/v) PEG8000, 12% (v/v) ethylene glycol, 5% (v/v) glycerol, 0.1 M Tris-HCl