8WKB

Durio zibethinus trypsin inhibitor DzTI-7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-12-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	101.242, 102.680, 116.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.350
R-factor	0.1949
Rwork	0.192
R-free	0.24170
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.902
Data reduction software	XDS (Jan 10, 2022 BUILT=20220110)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.680	2.420
High resolution limit [Å]	2.350	2.350
Rmerge	0.094	1.261
Rmeas	0.101	1.357
Rpim	0.038	0.496
Number of reflections	51452	4381
<I/σ(I)>	16.2	2.4
Completeness [%]	99.9	99.7
Redundancy	7.3	7.5
CC(1/2)	0.999	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	0.1 M Tris-HCl, 80 mM sodium chloride, 80 mM calcium chloride, 6% PEG 8,000, 8% glycerol