9Q8P

Structure characterization and anticancer potential of the fungal immunomodulatory protein FIP-ach

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 31 2 1
Unit cell lengths	73.318, 73.318, 167.539
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.600 - 2.130
Rwork	0.230
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	2.006
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.600	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.061
Number of reflections	29993	2417
<I/σ(I)>	15.7	2.1
Completeness [%]	99.8	100
Redundancy	11	11.2
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.09 M NPS (0.3M Sodium nitrate, 0.3 Sodium phosphate dibasic, 0.3M Ammonium sulfate), 0.1M buffer system 1 pH 6.5 (1M imidazole, 1M MES monohydrate) 30 % v/v Precipitant Mix 3 (40% v/v Glycerol; 20% w/v PEG 4000)