9P2E

Crystal structure of GH158(Pro) soaked with mixed linkage (G3G4G) oligosaccharide at 1.70 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2021-09-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 21 21 21
Unit cell lengths	48.244, 70.857, 117.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.210 - 1.700
R-factor	0.1686
Rwork	0.167
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.084
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.240	48.240	1.800
High resolution limit [Å]	1.700	5.070	1.700
Rmerge	0.110	0.053	1.109
Rmeas	0.137	0.064	1.402
Number of reflections	45126	926	4458
<I/σ(I)>	4.85
Completeness [%]	99.9
Redundancy	12.65
CC(1/2)	0.993	0.991	0.276

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG400, 18% PEG8000, 0.1M TRIS pH 8.5, 0.1M MgCl2