6LGI

Bombyx mori GH13 sucrose hydrolase mutant E322Q covalent intermediate complexed with fructose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-23
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.405, 147.055, 153.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.040 - 1.600
R-factor	0.1795
Rwork	0.178
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5brq
RMSD bond length	0.013
RMSD bond angle	1.780
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.061	0.650
Number of reflections	194405	28198
<I/σ(I)>	16.9	2.6
Completeness [%]	99.7	100
Redundancy	6.4	6.6
CC(1/2)	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% PEG 3350, 0.2 M magnesium acetate, 10 mM alpha-glucopyranosyl fluoride, 10 mM fructose