9IS1

Pasteurization-treated beta-conglycinin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	85.110, 83.460, 86.920
Unit cell angles	90.00, 118.36, 90.00

Refinement procedure

Resolution	37.450 - 2.010
R-factor	0.2457
Rwork	0.244
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.105
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.450	2.040
High resolution limit [Å]	2.010	2.010
Number of reflections	125347	4393
<I/σ(I)>	4.4
Completeness [%]	96.0
Redundancy	1.34
CC(1/2)	0.474	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	22% PEG400, 0.1M Magnesium Chloride hexahydrate, 0.1M Tris