8I2R

Beijerinckia indica beta-fructosyltransferase variant H395R/F473Y in complex with fructose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	54.542, 81.697, 99.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 1.360
R-factor	0.1627
Rwork	0.162
R-free	0.18156
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.521
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	1.430
High resolution limit [Å]	1.360	1.360
Rmerge	0.053	0.480
Rpim	0.023	0.201
Number of reflections	95951	13917
<I/σ(I)>	15.6	3.5
Completeness [%]	99.7	100
Redundancy	6.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	30% (w/v) polyethylene glycol 10000, 0.2 M magnesium chloride, 0.1 M potassium sodium tartrate, 0.1 M Tris-HCl