8HNR
Molecular structure of Kunitz-type trypsin inhibitor from seeds of Albizia procera
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9724 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.627, 34.967, 42.703 |
Unit cell angles | 90.00, 104.74, 90.00 |
Refinement procedure
Resolution | 41.300 - 1.420 |
R-factor | 0.1629 |
Rwork | 0.162 |
R-free | 0.18480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.895 |
Data reduction software | XDS (1.12) |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.300 | 1.472 |
High resolution limit [Å] | 1.420 | 1.422 |
Number of reflections | 32197 | 3119 |
<I/σ(I)> | 14.17 | |
Completeness [%] | 98.3 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M MES monohydrate (pH: 6.0), PEG 400 (25%) |