6SXV

GH51 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	2018-10-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.987
Spacegroup name	H 3
Unit cell lengths	178.994, 178.994, 100.893
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.850 - 1.402
Rwork	0.170
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pz3
RMSD bond length	0.019
RMSD bond angle	2.169
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]	29.850	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.077	0.613
Number of reflections	235421	16547
<I/σ(I)>	10.8	1.5
Completeness [%]	99.5	94.5
Redundancy	6.2	5.8
CC(1/2)	0.997	0.780

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