3L33
Human mesotrypsin complexed with amyloid precursor protein inhibitor(APPI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| 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 | 23.702 - 2.480 |
| Rwork | 0.198 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.871 |
| 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] | 23.702 | 2.610 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.263 | 0.024 |
| Total number of observations | 98361 | |
| Number of reflections | 57050 | |
| <I/σ(I)> | 11.1 | 0.3 |
| Completeness [%] | 99.3 | 95.8 |
| Redundancy | 14.2 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 4M sodium formate solution, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
