6YIV
Trypsin inhibitor in complex with bovine trypsin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-29 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.264, 58.164, 67.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.060 - 0.950 |
R-factor | 0.1252 |
Rwork | 0.125 |
R-free | 0.13450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mnk |
RMSD bond length | 0.006 |
RMSD bond angle | 0.977 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.010 |
High resolution limit [Å] | 0.950 | 0.950 |
Number of reflections | 130966 | 19891 |
<I/σ(I)> | 29.44 | 4.56 |
Completeness [%] | 97.7 | 92.6 |
Redundancy | 4.63 | 3.6 |
CC(1/2) | 1.000 | 0.940 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | ammonium sulfat, PEG 8000, ethylene glycol, HEPES |