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 |