9P2H

Crystal structure of GH158(Pro) soaked with mixed linkage (G4G4G3G) oligosaccharide at 1.30 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	48.543, 71.144, 117.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.370 - 1.300
R-factor	0.1513
Rwork	0.150
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.151
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]	48.540	48.540	1.380
High resolution limit [Å]	1.300	3.890	1.300
Rmerge	0.056	0.027	1.196
Rmeas	0.073	0.033	1.584
Number of reflections	101006	2382	12036
<I/σ(I)>	5.17
Completeness [%]	100.0
Redundancy	13.05
CC(1/2)	0.998	0.997	0.234

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	25% PEG400, 23% PEG3350, 0.1M TRIS pH 8.5, 0.1M MgCl2