5QBK
Crystal structure of Endothiapepsin-NAT17-347144 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 | 45.448, 73.991, 53.717 |
| Unit cell angles | 90.00, 110.60, 90.00 |
Refinement procedure
| Resolution | 40.189 - 1.279 |
| R-factor | 0.1477 |
| Rwork | 0.147 |
| R-free | 0.17890 |
| Structure solution method | Rigid Body |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.211 |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.190 | 40.190 | 1.360 |
| High resolution limit [Å] | 1.280 | 3.820 | 1.280 |
| Rmerge | 0.073 | 0.020 | 0.713 |
| Rmeas | 0.085 | 0.024 | 0.829 |
| Total number of observations | 321210 | ||
| Number of reflections | 85426 | 3273 | 13621 |
| <I/σ(I)> | 10.83 | 52.6 | 1.65 |
| Completeness [%] | 99.5 | 99.2 | 98.6 |
| CC(1/2) | 0.999 | 0.999 | 0.508 |
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 |
