7H5R
Crystal structure of endothiapepsin IS_cryo3 in complex with TL00150 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 | 45.460, 74.000, 53.360 |
| Unit cell angles | 90.00, 110.12, 90.00 |
Refinement procedure
| Resolution | 37.000 - 2.000 |
| R-factor | 0.2023 |
| Rwork | 0.201 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| 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] | 37.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 22243 | 1685 |
| <I/σ(I)> | 7.61 | |
| Completeness [%] | 98.2 | 99.8 |
| Redundancy | 11.62 | 11.8 |
| CC(1/2) | 0.990 | 0.570 |
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 |
