3PLK
Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor
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 | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.601, 54.601, 109.041 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.300 - 1.530 |
| R-factor | 0.13096 |
| Rwork | 0.129 |
| R-free | 0.15717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v2k |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.459 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.530 |
| Rmerge | 0.045 |
| Number of reflections | 28839 |
| <I/σ(I)> | 34 |
| Completeness [%] | 98.6 |
| Redundancy | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG 8000, 0.1M imidazole, 0.1M ammonium sulphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
