7MMY
Racemic structure of the cyclic plant peptide PDP-23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21/n 1 |
| Unit cell lengths | 27.527, 49.008, 29.402 |
| Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
| Resolution | 25.198 - 1.464 |
| Rwork | 0.188 |
| R-free | 0.27630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7l51 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.822 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.010 | 1.490 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Number of reflections | 13346 | 515 |
| <I/σ(I)> | 10.6 | 2.5 |
| Completeness [%] | 98.8 | 80.8 |
| Redundancy | 6.4 | 6.1 |
| CC(1/2) | 0.998 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Crystals were obtained from a racemic mix of 7mg/ml each of L- and D-peptide in 0.2 M trimethylamine N-oxide dihydrate, 0.1 M Tris pH 8.5, 20% PEG monomethyl ether 2000 |
