9P2G

Crystal structure of GH158(Pro) soaked with mixed linkage (G4G4G3G) oligosaccharide at 1.10 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]	100
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.86214
Spacegroup name	P 21 21 21
Unit cell lengths	48.217, 70.566, 115.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.770 - 1.100
R-factor	0.1611
Rwork	0.160
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.078
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.220	48.220	1.170
High resolution limit [Å]	1.100	3.290	1.100
Rmerge	0.082	0.029	1.401
Rmeas	0.115	0.038	1.981
Number of reflections	160313	3376	14437
<I/σ(I)>	3.33
Completeness [%]	99.9
Redundancy	6.52
CC(1/2)	0.997	0.997	0.187

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