11OS

Crystal Structure of Honey Truffle Active Component 1 through 4 (Orthorhombic P form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-22
Detector	Bruker PHOTON III
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.124, 59.024, 84.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.430 - 1.230
R-factor	0.1346
Rwork	0.133
R-free	0.16360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.001
Data reduction software	SAINT
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5750: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.430	1.250
High resolution limit [Å]	1.230	1.230
Rmerge	0.087	1.639
Rmeas	0.089	1.738
Rpim	0.020	0.572
Total number of observations	1243052	30818
Number of reflections	70668	3437
<I/σ(I)>	24	1.6
Completeness [%]	100.0
Redundancy	17.6	9
CC(1/2)	1.000	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	20% (w/v) PEG 4000, 100 mM Tris pH 8.0