7O76
Reversible supramolecular assembly of the anti-microbial peptide plectasin
This is a non-PDB format compatible entry.
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 | 2020-05-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97247 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 23.678, 20.093, 32.546 |
| Unit cell angles | 90.00, 104.28, 90.00 |
Refinement procedure
| Resolution | 21.219 - 1.131 |
| Rwork | 0.146 |
| R-free | 0.17810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e7u |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.965 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.530 | 1.200 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Number of reflections | 10216 | 1020 |
| <I/σ(I)> | 22.49 | |
| Completeness [%] | 89.9 | |
| Redundancy | 6 | |
| CC(1/2) | 0.999 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | 15 mg/mL plectasin in 10 mM His pH 4.5 added to a reservoir of 0.1 M NH4Ac, 0.1 M Tris pH 8.5 and 40% isopropanol |
