9NPB

Crystal structure of the inactive conformation of a glycoside hydrolase (CapGH2b) from the GH2 family in the space group R3 at 2.45 A

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	2020-11-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458640
Spacegroup name	H 3
Unit cell lengths	180.437, 180.437, 69.827
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.110 - 2.450
R-factor	0.1775
Rwork	0.175
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.785
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]	45.110	45.110	2.600
High resolution limit [Å]	2.450	7.260	2.450
Rmerge	0.161	0.047	1.155
Rmeas	0.216	0.060	1.587
Number of reflections	31143	716	3749
<I/σ(I)>	3.14
Completeness [%]	100.0
Redundancy	10.35
CC(1/2)	0.977	0.994	0.210

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% PEG8000, 0.1 M Imidazole, pH 8, 2 mM Tris(2-carboxyethyl)phosphine