9NPF

Crystal structure of the inactive conformation of a glycoside hydrolase (CapGH2b) from the GH2 family in the space group P1 at 2.15 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)	0.979150
Spacegroup name	P 1
Unit cell lengths	121.703, 123.566, 133.238
Unit cell angles	89.44, 117.29, 103.20

Refinement procedure

Resolution	49.000 - 2.150
R-factor	0.2085
Rwork	0.207
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.717
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]	49.000	49.000	2.280
High resolution limit [Å]	2.150	6.400	2.150
Rmerge	0.064	0.030	0.262
Rmeas	0.091		0.371
Number of reflections	344315	12749	52250
<I/σ(I)>	6.72
Completeness [%]	89.3
Redundancy	3.8
CC(1/2)	0.998		0.883

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