8IC1

endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-25
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	114.708, 137.731, 148.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.650 - 1.800
R-factor	0.16074
Rwork	0.159
R-free	0.19049
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.581
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.9)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.650	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.114	1.235
Rpim	0.047	0.528
Number of reflections	217228	10677
<I/σ(I)>	12	2
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.625	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		303.15	0.12 M MES-NaOH (pH 6.0), 5% PEG3000, 20% PEG200, 5 mM arabinononaose with acetonide tag