7H5J
Crystal structure of endothiapepsin IS_cryo1 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 | 45.400, 73.720, 53.090 |
Unit cell angles | 90.00, 109.90, 90.00 |
Refinement procedure
Resolution | 20.910 - 2.000 |
R-factor | 0.1753 |
Rwork | 0.173 |
R-free | 0.21440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.000 |
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] | 38.820 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 19868 | 1522 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 91.7 | 94.8 |
Redundancy | 12.28 | 12.01 |
CC(1/2) | 0.990 | 0.920 |
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 |