7XTJ

Crystal structure of E88A mutant of GH3 beta-xylosidase from Aspergillus niger (AnBX)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	120.881, 120.881, 266.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.970 - 2.500
R-factor	0.2156
Rwork	0.214
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q7i
RMSD bond length	0.005
RMSD bond angle	0.691
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.500	2.500
Rmeas	0.244	3.310
Number of reflections	68702	10817
<I/σ(I)>	14.49	1.11
Completeness [%]	99.8	99.1
Redundancy	27.1	27
CC(1/2)	0.999	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	16% (v/v) ethylene glycol, 0.1 M citric acid, pH 3.5, 10% (w/v) polyethylene glycol 6,000