3UY9
Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 88.069, 98.569, 120.781 |
| Unit cell angles | 89.62, 88.85, 103.99 |
Refinement procedure
| Resolution | 120.780 - 3.220 |
| R-factor | 0.2072 |
| Rwork | 0.205 |
| R-free | 0.26090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v2k |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.603 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 120.780 |
| High resolution limit [Å] | 3.220 |
| Rmerge | 0.130 |
| Number of reflections | 56715 |
| <I/σ(I)> | 5.1 |
| Completeness [%] | 89.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 30% PEG8000, 0.3M AMMONIUM SULPHATE, 0.1M IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
