8WIO

Durio zibethinus trypsin inhibitor DzTI-10

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 4 21 2
Unit cell lengths	164.162, 164.162, 64.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 3.700
R-factor	0.2752
Rwork	0.273
R-free	0.31540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.696
Data reduction software	XDS (Jan 10, 2022 BUILT=20220110)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.590	4.140
High resolution limit [Å]	3.700	3.700
Rmerge	0.120	1.371
Rmeas	0.125	1.421
Rpim	0.033	0.369
Number of reflections	9912	2748
<I/σ(I)>	16	2.5
Completeness [%]	99.8	100
Redundancy	14	14.6
CC(1/2)	0.999	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	289	100 mM sodium acetate, 1 M ammonium sulfate