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 |