21JI

Crystal structure of isoprimeverose-producing enzyme from Phaeoacremonium minimum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	186.185, 74.028, 184.494
Unit cell angles	90.00, 95.23, 90.00

Refinement procedure

Resolution	49.080 - 2.800
R-factor	0.2182
Rwork	0.216
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.570
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	XDS (Mar 15, 2019)
Phasing software	MOLREP (11.6)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.094	0.770
Rpim	0.060	0.476
Number of reflections	61469	2615
<I/σ(I)>	10.1	1.4
Completeness [%]	99.2	92.1
Redundancy	3.5	3.6
CC(1/2)	0.995	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	Sodium acetate trihydrate, PEG 3350