6M0D

Beijerinckia indica beta-fructosyltransferase

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	2019-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	52.891, 80.900, 92.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.300 - 2.200
Rwork	0.222
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w18
RMSD bond length	0.009
RMSD bond angle	1.636
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.230
High resolution limit [Å]	2.200	2.200
Rmerge	0.125	0.338
Rpim	0.054	0.140
Number of reflections	20772	1750
<I/σ(I)>	9.6	4.8
Completeness [%]	99.8	99.7
Redundancy	6.4
CC(1/2)	0.992	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	30% (w/v) polyethylene glycol 10000, 0.2 M MgCl2, 0.1 M Na K tartrate, 0.1 M Tris-HCl