7H5I
Crystal structure of endothiapepsin IS_cryo3 in complex with AC40075 at 100 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.420, 73.830, 53.220 |
| Unit cell angles | 90.00, 110.01, 90.00 |
Refinement procedure
| Resolution | 42.680 - 2.000 |
| R-factor | 0.1983 |
| Rwork | 0.195 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.680 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 20946 | 1509 |
| <I/σ(I)> | 7.74 | |
| Completeness [%] | 97.6 | 94 |
| Redundancy | 10.3 | 5.5 |
| CC(1/2) | 0.990 | 0.590 |
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 pH 4.6, and 26 - 30% (v/v) PEG 4000 |
