5QBE
Crystal structure of Endothiapepsin-FRG175 complex
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 | 2014-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.892, 72.708, 52.032 |
| Unit cell angles | 90.00, 108.69, 90.00 |
Refinement procedure
| Resolution | 42.525 - 1.498 |
| R-factor | 0.1384 |
| Rwork | 0.138 |
| R-free | 0.17560 |
| Structure solution method | Rigid Body |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.002 |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.526 | 42.526 | 1.590 |
| High resolution limit [Å] | 1.500 | 4.470 | 1.500 |
| Rmerge | 0.063 | 0.018 | 0.675 |
| Rmeas | 0.073 | 0.021 | 0.787 |
| Total number of observations | 188854 | ||
| Number of reflections | 50647 | 1957 | 8031 |
| <I/σ(I)> | 14.5 | 57.06 | 1.93 |
| Completeness [%] | 99.4 | 99.1 | 98.1 |
| CC(1/2) | 0.999 | 0.999 | 0.691 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding |
