9P28

Crystal structure of GH158(Pro) soaked with laminaritriose 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	2021-08-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 21 21 21
Unit cell lengths	48.388, 71.113, 117.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.340 - 1.300
R-factor	0.1442
Rwork	0.143
R-free	0.16260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.148
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]	48.390	3.890	1.380
High resolution limit [Å]	1.300	2.750	1.300
Rmerge	0.049	0.030	1.012
Rmeas	0.061	0.037	1.348
Number of reflections	100526	3741	11027
<I/σ(I)>	7.05
Completeness [%]	100.0
Redundancy	12.905
CC(1/2)	0.998	0.998	0.259

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	: 20% PEG3350, 25% PEG400, 0.1M TRIS pH 8.5, 0.1M MgCl2