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 |