5QBA
Crystal structure of Endothiapepsin-FRG134 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 | 45.304, 73.251, 52.697 |
| Unit cell angles | 90.00, 109.57, 90.00 |
Refinement procedure
| Resolution | 41.100 - 1.338 |
| R-factor | 0.1292 |
| Rwork | 0.129 |
| R-free | 0.16010 |
| Structure solution method | Rigid Body |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.046 |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.686 | 42.686 | 1.420 |
| High resolution limit [Å] | 1.340 | 4.000 | 1.340 |
| Rmerge | 0.057 | 0.025 | 0.693 |
| Rmeas | 0.067 | 0.029 | 0.808 |
| Total number of observations | 268331 | ||
| Number of reflections | 69900 | 2741 | 10847 |
| <I/σ(I)> | 13.67 | 45.29 | 1.79 |
| Completeness [%] | 95.6 | 97.1 | 91.9 |
| CC(1/2) | 0.999 | 0.999 | 0.646 |
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 |
