6SXU

GH51 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 I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	H 3
Unit cell lengths	178.470, 178.470, 100.411
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.750 - 1.398
Rwork	0.155
R-free	0.16200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pz3
RMSD bond length	0.017
RMSD bond angle	1.996
Data reduction software	XDS (Aug. 8, 2018)
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]	29.750	1.430
High resolution limit [Å]	1.398	1.400
Rmerge	0.048	0.634
Number of reflections	235395	17031
<I/σ(I)>	18.7	2.3
Completeness [%]	99.8	97.4
Redundancy	6.2	6.1
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2:1 protein:well solution. 0.1 M pH 7.5 Tris-HCl buffer, 18% PEG3350, 0.7 M NH4F, 5% 2-propanol