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 |