5C67
Human Mesotrypsin in complex with amyloid precursor protein inhibitor variant APPI-M17G/I18F/F34V
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 78.150, 78.150, 243.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.830 |
| R-factor | 0.22382 |
| Rwork | 0.223 |
| R-free | 0.26679 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l33 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.008 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 20.000 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.076 | 0.796 |
| Number of reflections | 66627 | |
| <I/σ(I)> | 16.5 | 3.1 |
| Completeness [%] | 96.7 | 91.1 |
| Redundancy | 6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M ammonium sulfate, 0.1 M Tris pH 7.5, and 20% PEG-1000 |
