9ATU
Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus
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 | 2023-03-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.816, 121.060, 147.628 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.280 - 2.050 |
R-factor | 0.186 |
Rwork | 0.185 |
R-free | 0.23720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.880 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
Rmerge | 0.103 | 0.067 | 1.387 |
Rmeas | 0.107 | 0.070 | 1.459 |
Rpim | 0.029 | 0.020 | 0.442 |
Total number of observations | 1088798 | ||
Number of reflections | 85130 | 8891 | 8374 |
<I/σ(I)> | 8.6 | ||
Completeness [%] | 99.7 | 99.3 | 99.3 |
Redundancy | 12.8 | 12.9 | 9.8 |
CC(1/2) | 0.990 | 0.987 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M ammonium acetate 0.1 M Tris-HCl (pH 8.0) 17% (w/v) PEG-10K |