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 |