8WI1

Durio zibethinus trypsin inhibitor DzTI-8

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	2022-04-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	37.933, 72.509, 117.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.310 - 2.000
R-factor	0.1781
Rwork	0.176
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.097
Data reduction software	XDS (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]	29.310	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.099	0.855
Rmeas	0.106	0.921
Rpim	0.040	0.339
Number of reflections	22647	1625
<I/σ(I)>	13.9	2
Completeness [%]	100.0	100
Redundancy	7.2
CC(1/2)	0.998	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	100 mM Tris, 200 mM NaCl, 25% PEG 3,350