8G25
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 7.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.147, 68.429, 141.899 |
Unit cell angles | 90.00, 102.76, 90.00 |
Refinement procedure
Resolution | 46.130 - 1.800 |
R-factor | 0.2486 |
Rwork | 0.248 |
R-free | 0.28270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1AU8 1hne & 1YN5 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.721 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (v1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rpim | 0.075 | 0.062 | 0.588 |
Total number of observations | 951665 | ||
Number of reflections | 149744 | 28586 | 28620 |
<I/σ(I)> | 5.1 | ||
Completeness [%] | 98.1 | 97.5 | 97.9 |
Redundancy | 3.3 | 3.5 | 2.9 |
CC(1/2) | 0.979 | 0.979 | 0.617 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, 0.2 M lithium sulfate, 26% w/v PEG3350 |