7PUG

GH115 alpha-1,2-glucuronidase in complex with xylopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 61 2 2
Unit cell lengths	148.630, 148.630, 272.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.260 - 2.660
R-factor	0.1758
Rwork	0.174
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c90
RMSD bond length	0.008
RMSD bond angle	0.932
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.260	2.780
High resolution limit [Å]	2.660	2.660
Number of reflections	51774	5062
<I/σ(I)>	17.87
Completeness [%]	99.9
Redundancy	16.8
CC(1/2)	1.000	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M CaCl2, 0.1 M HEPES pH 7.5 and 28% PEG400