5R2B
PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H03, DMSO-free
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.827 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.279, 73.063, 52.921 |
| Unit cell angles | 90.00, 109.73, 90.00 |
Refinement procedure
| Resolution | 42.621 - 1.019 |
| R-factor | 0.1383 |
| Rwork | 0.138 |
| R-free | 0.14370 |
| Structure solution method | FOURIER SYNTHESIS |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.8.0238) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.621 | 50.000 | 1.080 |
| High resolution limit [Å] | 1.020 | 3.050 | 1.020 |
| Rmerge | 0.082 | 0.045 | 1.583 |
| Rmeas | 0.089 | 0.048 | 1.727 |
| Total number of observations | 1108076 | ||
| Number of reflections | 163927 | 6265 | 25910 |
| <I/σ(I)> | 9.46 | 40.36 | 0.77 |
| Completeness [%] | 99.4 | 0.995 | 0.973 |
| Redundancy | 6.755 | 7.04 | 6.01 |
| CC(1/2) | 0.999 | 0.998 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG4000 |
