7K1R

X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant

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	2019-06-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45
Spacegroup name	P 21 21 21
Unit cell lengths	87.123, 153.100, 182.401
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.720 - 2.400
R-factor	0.1918
Rwork	0.190
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2exh
RMSD bond length	0.002
RMSD bond angle	0.571
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (1.14-3260)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.150	2.440
High resolution limit [Å]	2.400	2.400
Rmeas	0.291
Rpim	0.080	0.777
Number of reflections	95985	4619
<I/σ(I)>	8.8
Completeness [%]	99.9	98.2
Redundancy	13	11.8
CC(1/2)	0.993	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	4M Sodium Formate