5YOT

Isoprimeverose-producing enzyme from Aspergillus oryzae in complex with isoprimeverose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	173
Detector technology	CCD
Collection date	2016-05-19
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	70.141, 130.454, 94.836
Unit cell angles	90.00, 94.46, 90.00

Refinement procedure

Resolution	30.000 - 1.980
R-factor	0.16962
Rwork	0.167
R-free	0.21143
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.652
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	50.000	2.032
High resolution limit [Å]	1.980	5.430	1.981
Rmerge	0.101	0.047	0.617
Rmeas	0.117	0.054	0.717
Rpim	0.057	0.026	0.361
Number of reflections	109351	5927	5388
<I/σ(I)>	11.8
Completeness [%]	93.9	99.9	93.2
Redundancy	3.9	4.2	3.7
CC(1/2)		0.994	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Bis-Tris pH6.5, 26% PEG MME550, 0.15M CaCl2