9CT1

Complex between the porcine trypsin and M271 a Kunitz-STI from Solanum tuberosum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-07
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5417
Spacegroup name	P 21 21 21
Unit cell lengths	47.249, 85.887, 186.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 2.420
R-factor	0.186
Rwork	0.183
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.216
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.520
High resolution limit [Å]	2.420	2.420
Number of reflections	29614	2886
<I/σ(I)>	23.68	2.55
Completeness [%]	99.4	97.63
Redundancy	9.6	2.9
CC(1/2)	0.990	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.6	293	0.085 M Sodium acetate trihydrate pH 4.6, 0.17 M Ammonium acetate, 25.5% w/v Polyethylene glycol 4,000, 15% v/v Glycerol