6YIX
Trypsin inhibitor in complex with bovine trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| 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 | 54.366, 58.099, 66.654 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.130 - 1.310 |
| R-factor | 0.1777 |
| Rwork | 0.177 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mnk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.953 |
| 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 | 1.390 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Number of reflections | 50997 | 8098 |
| <I/σ(I)> | 18.98 | |
| Completeness [%] | 98.9 | 98.3 |
| Redundancy | 4.6 | 4.6 |
| CC(1/2) | 0.999 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | ammonium sulfat, PEG8000, ethylene glycol, HEPES |
