8G24
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 5.5
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 | 49.070, 68.604, 82.417 |
Unit cell angles | 90.00, 102.52, 90.00 |
Refinement procedure
Resolution | 47.900 - 1.820 |
R-factor | 0.2136 |
Rwork | 0.212 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1AU8 1hne & 1YN5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.953 |
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 | 1.890 |
High resolution limit [Å] | 1.820 | 3.920 | 1.820 |
Rpim | 0.057 | 0.041 | 0.577 |
Total number of observations | 303430 | ||
Number of reflections | 47888 | 8786 | 9111 |
<I/σ(I)> | 10.1 | ||
Completeness [%] | 97.8 | 93.7 | 98.1 |
Redundancy | 3.3 | 3.2 | 2.9 |
CC(1/2) | 0.985 | 0.978 | 0.466 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris, 0.2 M sodium chloride, 26% w/v PDB3350 |