7IEW
Crystal structure of Endothiapepsin in complex with fragment EOS102818 from ECBL-96
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 | 45.410, 73.480, 52.680 |
| Unit cell angles | 90.00, 109.53, 90.00 |
Refinement procedure
| Resolution | 39.620 - 1.180 |
| R-factor | 0.17063 |
| Rwork | 0.170 |
| R-free | 0.19781 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.684 |
| 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] | 39.620 | 3.520 | 1.250 |
| High resolution limit [Å] | 1.180 | 2.490 | 1.180 |
| Rmerge | 0.073 | 0.043 | 1.418 |
| Rmeas | 0.087 | 0.051 | 1.693 |
| Total number of observations | 351007 | ||
| Number of reflections | 105031 | 7244 | 16309 |
| <I/σ(I)> | 7.88 | 24.73 | 0.82 |
| Completeness [%] | 97.4 | ||
| CC(1/2) | 0.998 | 0.997 | 0.339 |
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 |
