8R49

Plastidial phosphorylase Pho1 from Solanum tuberosum in complex with beta cyclodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976256
Spacegroup name	C 1 2 1
Unit cell lengths	218.630, 136.728, 123.155
Unit cell angles	90.00, 91.47, 90.00

Refinement procedure

Resolution	123.114 - 2.800
Rwork	0.218
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.114	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.090	0.818
Number of reflections	87204	4507
<I/σ(I)>	7.4
Completeness [%]	98.0
Redundancy	3
CC(1/2)	0.995	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M Tris-HCl, 20 % PEG4000