9P2B

Crystal structure of GH158(Pro) soaked with laminarihexaose at 1.62 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	48.339, 70.763, 117.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.180 - 1.620
R-factor	0.1678
Rwork	0.167
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.275
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]	48.340	48.340	1.720
High resolution limit [Å]	1.620	4.840	1.620
Rmerge	0.126	0.060	1.108
Rmeas	0.162	0.075	1.443
Number of reflections	51844	1356	6131
<I/σ(I)>	3.37
Completeness [%]	100.0
Redundancy	10.92
CC(1/2)	0.990	0.991	0.240

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG6000, 0.1M HEPES pH 7.0, 0.2M MgCl2