7IEX
Crystal structure of Endothiapepsin in complex with fragment EOS102900 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 | 45.360, 73.010, 52.620 |
| Unit cell angles | 90.00, 109.26, 90.00 |
Refinement procedure
| Resolution | 42.820 - 1.040 |
| R-factor | 0.16526 |
| Rwork | 0.165 |
| R-free | 0.18565 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.757 |
| 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] | 42.820 | 3.110 | 1.100 |
| High resolution limit [Å] | 1.040 | 2.200 | 1.040 |
| Rmerge | 0.060 | 0.031 | 1.226 |
| Rmeas | 0.071 | 0.037 | 1.497 |
| Total number of observations | 497899 | ||
| Number of reflections | 151984 | 10432 | 24363 |
| <I/σ(I)> | 9.12 | 33.61 | 0.76 |
| Completeness [%] | 97.9 | ||
| CC(1/2) | 0.999 | 0.998 | 0.388 |
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 |
