6LGG

Bombyx mori GH13 sucrose hydrolase mutant E322Q complexed with sucrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	64.700, 127.900, 154.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.280 - 1.840
R-factor	0.1823
Rwork	0.181
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5brq
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.840	1.840
Rmerge	0.097	0.775
Number of reflections	111648	16116
<I/σ(I)>	12.4	2.4
Completeness [%]	99.9	100
Redundancy	6.5	6.7
CC(1/2)	0.998	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	8% PEG 3350, 0.2 M magnesium acetate, 10 mM sucrose