9IS0

Ultra-high temperature sterilization-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	2024-01-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	84.896, 81.880, 86.569
Unit cell angles	90.00, 118.38, 90.00

Refinement procedure

Resolution	28.830 - 3.230
R-factor	0.2369
Rwork	0.227
R-free	0.32240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.466
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]	28.830	3.320
High resolution limit [Å]	3.230	3.230
Number of reflections	16327	830
<I/σ(I)>	4.7
Completeness [%]	96.3
Redundancy	1.38
CC(1/2)	0.987	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293.15	28% PEG400, 0.05M Magnesium acetate tetrahydrate, 0.05M Sodium acetate