3L3T
Human mesotrypsin complexed with amyloid precursor protein inhibitor variant (APPIR15K)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 92.793, 130.067, 132.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.515 - 2.378 |
| Rwork | 0.183 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.698 |
| Data reduction software | MOSFLM (3.2.25) |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (2007_05_29_2026) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.516 | 2.530 |
| High resolution limit [Å] | 2.378 | 2.378 |
| Rmerge | 0.162 | 0.013 |
| Total number of observations | 78222 | |
| Number of reflections | 63709 | |
| <I/σ(I)> | 13.3 | 0.6 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 13.2 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 4M sodium formate solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
