8R4J

Plastidial phosphorylase Pho1 from Solanum tuberosum in complex with caffeine

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	218.828, 136.093, 123.193
Unit cell angles	90.00, 91.55, 90.00

Refinement procedure

Resolution	49.540 - 3.700
R-factor	0.28029
Rwork	0.279
R-free	0.30787
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.540	3.860
High resolution limit [Å]	3.700	3.700
Number of reflections	37747	4635
<I/σ(I)>	3.3
Completeness [%]	98.0
Redundancy	3
CC(1/2)	0.947	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M Tris-HCl pH 8.5, 20 % w/v PEG 4000