9P2J

Crystal structure of GH158(Pro) soaked with mixed linkage (G4G3G4G) oligosaccharide at 1.40 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	2021-09-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 21 21 21
Unit cell lengths	47.845, 70.204, 114.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.280 - 1.400
R-factor	0.1946
Rwork	0.193
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.989
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]	47.840	47.840	1.480
High resolution limit [Å]	1.400	4.180	1.400
Rmerge	0.070	0.038	0.888
Rmeas	0.087	0.047	1.134
Number of reflections	76385	1822	7382
<I/σ(I)>	5.32
Completeness [%]	99.7
Redundancy	12.27
CC(1/2)	0.997	0.996	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG400, 21% PEG8000, 0.1M TRIS pH 8.5, 0.1M MgCl2