9KU5

Crystal structure of substrate bound GH5_22 exo-beta-xylosidase from the seaweed-derived thermophile Geobacillus thermodenitrificans OS27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	89.479, 92.010, 106.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.030 - 1.520
R-factor	0.1629
Rwork	0.161
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ceo
RMSD bond length	0.009
RMSD bond angle	1.059
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180808)
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.030	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.151	0.917
Rpim	0.061	0.372
Number of reflections	255519	6304
<I/σ(I)>	7.5	1.9
Completeness [%]	99.5	96
Redundancy	7.1	6.9
CC(1/2)	0.992	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES-NaOH, 26% PEG 6000