6SXS

GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor

This is a non-PDB format compatible entry.

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	111.136, 111.136, 342.742
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.059 - 1.859
Rwork	0.182
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wd3
RMSD bond length	0.012
RMSD bond angle	1.768
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]	84.059	1.890
High resolution limit [Å]	1.859	1.860
Rmerge	0.128	5.320
Rmeas	0.133	5.540
Rpim	0.039	1.530
Number of reflections	68786	3411
<I/σ(I)>	10.2	0.5
Completeness [%]	100.0	100
Redundancy	12.1	12.8
CC(1/2)	0.999	0.440

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