5YQS

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	2016-07-14
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	69.787, 129.911, 95.162
Unit cell angles	90.00, 94.44, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.1557
Rwork	0.153
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.679
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]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.079	0.057	0.184
Rmeas	0.094	0.066	0.230
Rpim	0.049	0.032	0.135
Total number of observations	178445
Number of reflections	59786	3339	2657
<I/σ(I)>	16.8
Completeness [%]	90.6	98.5	81.4
Redundancy	3	3.8	2.2
CC(1/2)		0.993	0.860

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