8XEM
Crystal structure of apo HEPN toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97942 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.880, 53.185, 86.965 |
| Unit cell angles | 90.00, 122.10, 90.00 |
Refinement procedure
| Resolution | 48.750 - 1.800 |
| R-factor | 0.1682 |
| Rwork | 0.167 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.782 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20rc4_4418) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 51227 | 2583 |
| <I/σ(I)> | 24.8 | |
| Completeness [%] | 98.4 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.994 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 3350, pH 6.5, 0.2 M ammonium tartrate dibasic |
