6QL0
Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine derivative
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 | 2018-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.666, 54.666, 106.274 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.342 - 1.634 |
| R-factor | 0.1594 |
| Rwork | 0.158 |
| R-free | 0.19450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mnk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.927 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.342 | 1.730 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmeas | 0.186 | 0.539 |
| Number of reflections | 23253 | 3510 |
| <I/σ(I)> | 7.21 | 2.5 |
| Completeness [%] | 99.0 | 94.3 |
| Redundancy | 7.6 | |
| CC(1/2) | 0.987 | 0.862 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M (NH4)2SO4, 15% PEG8000, 100% ethylene glycol, 1M HEPES pH 7.5 |
