9NP8

Crystal structure of the inactive conformation of a glycoside hydrolase (CapGH2b) from the GH2 family in the space group I213 at 2.05 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979130
Spacegroup name	I 21 3
Unit cell lengths	191.802, 191.802, 191.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.210 - 2.000
R-factor	0.1807
Rwork	0.179
R-free	0.21250
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.617
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.950	47.950	2.120
High resolution limit [Å]	2.000	5.960	2.000
Rmerge	0.118	0.029	3.525
Rmeas	0.120	0.032	3.876
Number of reflections	78790	5756	24677
<I/σ(I)>	10.68
Completeness [%]	99.7
Redundancy	41.4
CC(1/2)	0.999	0.999	0.140

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1 M ammonium phosphate dibasic, 0.1M sodium acetate, pH 4.5