6NCZ

Crystal structure of hybrid beta-glucuronidase/beta-galacturonidase from Fusicatenibacter saccharivorans bound to phenyl-thio-beta-D-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	2018-06-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 1
Unit cell lengths	109.134, 116.916, 117.604
Unit cell angles	60.32, 62.53, 87.09

Refinement procedure

Resolution	29.670 - 2.200
R-factor	0.181
Rwork	0.181
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lpf
RMSD bond length	0.008
RMSD bond angle	0.943
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]	29.700	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.116	1.093
Rpim	0.071	0.664
Number of reflections	215731	21435
<I/σ(I)>	8.3	1.1
Completeness [%]	97.4	96.8
Redundancy	3.6	3.6
CC(1/2)	0.995	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium tartrate dibasic, 20% (w/v) PEG 3350 with 1 mM phenyl-thio-beta-D-glucuronide