7NKW
Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-09 |
| Detector | PSI JUNGFRAU 4M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.005, 74.636, 52.826 |
| Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
| Resolution | 43.660 - 2.270 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rsv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.660 | 2.350 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rpim | 0.230 | 1.790 |
| Number of reflections | 15626 | 1487 |
| <I/σ(I)> | 3.45 | 0.58 |
| Completeness [%] | 99.3 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.960 | 0.090 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 100 mM ammonium acetate, 100 mM sodium acetate pH 4.6 and 26 to 30% PEG 4000 |
