7IFE
Crystal structure of Endothiapepsin in complex with fragment EOS102869 from ECBL-96
This is a non-PDB format compatible entry.
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 | 2021-06-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.340, 72.930, 52.530 |
| Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
| Resolution | 42.750 - 1.070 |
| R-factor | 0.17166 |
| Rwork | 0.171 |
| R-free | 0.19504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.737 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.750 | 3.200 | 1.130 |
| High resolution limit [Å] | 1.070 | 2.270 | 1.070 |
| Rmerge | 0.100 | 0.062 | 1.195 |
| Rmeas | 0.118 | 0.074 | 1.412 |
| Total number of observations | 457578 | ||
| Number of reflections | 130113 | 9415 | 19474 |
| <I/σ(I)> | 6.05 | 18.91 | 0.82 |
| Completeness [%] | 91.7 | ||
| CC(1/2) | 0.995 | 0.992 | 0.464 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 29 % (w/v) PEG 4000, 0.1 M ammonium acetate and 0.1 M sodium acetate, pH 4.6 |
