9P29

Crystal structure of GH158(Pro) soaked with laminaripentaose at 1.48 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	47.365, 69.964, 110.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.550 - 1.480
R-factor	0.1829
Rwork	0.181
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.054
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]	47.360	47.360	1.570
High resolution limit [Å]	1.480	4.420	1.480
Rmerge	0.080	0.041	1.186
Rmeas	0.097	0.048	1.463
Number of reflections	52595	1255	3336
<I/σ(I)>	6.72
Completeness [%]	84.8
Redundancy	8.55
CC(1/2)	0.997	0.997	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG400, 22% PEG8000, 0.1M TRIS pH 8.5, 0.1M MgCl2