5R27
PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G03, 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 | 45.243, 73.059, 52.631 |
| Unit cell angles | 90.00, 109.66, 90.00 |
Refinement procedure
| Resolution | 42.605 - 1.029 |
| R-factor | 0.1254 |
| Rwork | 0.123 |
| R-free | 0.14160 |
| 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] | 42.605 | 50.000 | 1.090 |
| High resolution limit [Å] | 1.030 | 3.080 | 1.030 |
| Rmerge | 0.073 | 0.054 | 1.163 |
| Rmeas | 0.079 | 0.058 | 1.257 |
| Total number of observations | 1077751 | ||
| Number of reflections | 151701 | 6017 | 23305 |
| <I/σ(I)> | 10.8 | 35.27 | 1.19 |
| Completeness [%] | 95.3 | 0.99 | 0.909 |
| Redundancy | 7.104 | 6.98 | 6.33 |
| CC(1/2) | 0.998 | 0.997 | 0.601 |
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 |
