7IFI
Crystal structure of Endothiapepsin in complex with fragment EOS102469 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 | 45.310, 73.120, 52.420 |
| Unit cell angles | 90.00, 109.43, 90.00 |
Refinement procedure
| Resolution | 42.730 - 1.150 |
| R-factor | 0.18033 |
| Rwork | 0.180 |
| R-free | 0.19226 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.034 |
| RMSD bond angle | 1.676 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.730 | 3.440 | 1.220 |
| High resolution limit [Å] | 1.150 | 2.440 | 1.150 |
| Rmerge | 0.093 | 0.041 | 1.476 |
| Rmeas | 0.110 | 0.048 | 1.742 |
| Total number of observations | 376636 | ||
| Number of reflections | 109409 | 7709 | 17041 |
| <I/σ(I)> | 7.17 | 26.23 | 0.74 |
| Completeness [%] | 95.6 | ||
| CC(1/2) | 0.998 | 0.997 | 0.355 |
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 |
