9NPC

Crystal structure of the inactive conformation of a glycoside hydrolase (CapGH2b) from the GH2 family in the space group I212121 at 2.65 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	2020-03-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979340
Spacegroup name	I 21 21 21
Unit cell lengths	191.853, 192.001, 191.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.250 - 2.650
R-factor	0.2041
Rwork	0.203
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.763
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]	48.000	48.000	2.810
High resolution limit [Å]	2.650	7.850	2.650
Rmerge	0.163	0.024	1.361
Rmeas	0.176	0.034	1.916
Number of reflections	102548	4380	19539
<I/σ(I)>	4.6
Completeness [%]	99.7
Redundancy	7.06
CC(1/2)	0.989	0.997	0.244

Crystallization Conditions

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