8QJ0

Room-temperature Serial Synchrotron Crystallography structure of Spinacia oleracea RuBisCO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-11-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	158.600, 157.120, 202.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.780 - 2.300
Rwork	0.181
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.149
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL (0.10.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.780	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	112061	5554
<I/σ(I)>	7.96	3.66
Completeness [%]	100.0	100
Redundancy	770	528
CC(1/2)	0.994	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	SpRub solution at a concentration of 15 mg/mL (in a buffer of 20 mM HEPES, 5 mM MgCl2, pH 8.0), combined reservoir solution (0.2 M MgCl2x6H2O, 0.1 M Tris pH 7.0, 12% w/v PEG 8000