9NPE

Crystal structure of the inactive conformation of a glycoside hydrolase (CapGH2b) from the GH2 family in the space group P1 at 2.40 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97822
Spacegroup name	P 1
Unit cell lengths	122.520, 124.140, 133.600
Unit cell angles	89.30, 117.29, 103.48

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.224
Rwork	0.222
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.546
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]	20.000	20.000	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.136	0.042	0.981
Rmeas	0.152	0.047	1.104
Number of reflections	264442	4912	39020
<I/σ(I)>	8.56
Completeness [%]	99.0
Redundancy	5.1
CC(1/2)	0.995	0.998	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.75 M ammonium phosphate dibasic, 0.1 M imidazole, pH8, 0.2 M sodium chloride