6SXT

GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor

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	2019-07-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	112.232, 112.232, 342.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.687 - 1.466
Rwork	0.157
R-free	0.17910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wd3
RMSD bond length	0.016
RMSD bond angle	1.942
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.540	1.491
High resolution limit [Å]	1.466	1.466
Rmerge	0.105	2.980
Rmeas	0.109	3.130
Rpim	0.031	0.940
Number of reflections	141273	6968
<I/σ(I)>	13	0.7
Completeness [%]	99.3	98.5
Redundancy	12.4	10.7
CC(1/2)	0.999	0.367

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, 0.3 M (NH4)2SO4