8OFD

Crystal structure of beta-conglutin from Lupinus albus refined to 2.81 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-14
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 3 2 1
Unit cell lengths	166.630, 166.630, 40.098
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.767 - 2.810
Rwork	0.204
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.317
Data reduction software	CrysalisPro (1.171.41.100)
Data scaling software	Aimless (0.7.9)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.770	2.960
High resolution limit [Å]	2.810	2.810
Rmerge	0.170	1.001
Rmeas	0.182	1.067
Rpim	0.064	0.366
Number of reflections	15700	2263
<I/σ(I)>	9.1	2
Completeness [%]	99.7	100
Redundancy	7.8	8.4
CC(1/2)	0.993	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	40% (v/v) Tacsimate pH 7.0, 50 mM HEPES pH 7.0, 2 mM Spermine, and 2 mM Hexaamine cobalt (III)