6SXR

E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	111.970, 111.970, 341.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	93.280 - 1.640
Rwork	0.160
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wd3
RMSD bond length	0.014
RMSD bond angle	1.873
Data reduction software	xia2 (0.5.898)
Data scaling software	DIALS (1.14.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.280	1.670
High resolution limit [Å]	1.640	1.640
Rmeas	0.129	2.319
Number of reflections	99211	4864
<I/σ(I)>	12.5	1
Completeness [%]	98.2	97
Redundancy	12.6	12.2
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	2:1 protein:well solution. 0.1 M pH 4.5 sodium acetate buffer, 60% PEG400, 0.4 M Li2SO4