9K9C

Crystal structure of Sorghum bicolor SPS complexed with Zoledronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	135.228, 55.972, 93.358
Unit cell angles	90.00, 106.92, 90.00

Refinement procedure

Resolution	46.368 - 2.286
R-factor	0.2118
Rwork	0.210
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.455
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.370	2.368
High resolution limit [Å]	2.286	2.286
Number of reflections	30378	2977
<I/σ(I)>	7.95
Completeness [%]	99.4
Redundancy	10.204
CC(1/2)	0.995	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Potassium thiocyanate, Bis-Tris propane, PEG 3350