5F1W
Crystal structure of the enantiomer of a macrocyclic peptide containing fragments from alpha synuclein 36-55
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.997 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 77.910, 77.910, 77.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.842 - 2.161 |
| R-factor | 0.2291 |
| Rwork | 0.223 |
| R-free | 0.28280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f1t |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.058 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 34.842 |
| High resolution limit [Å] | 2.161 |
| Number of reflections | 8669 |
| <I/σ(I)> | 5.84 |
| Completeness [%] | 100.0 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 0.1 M HEPES (pH 8.0), 0.5 m ammonium sulphate, 34% 2-methyl-2,4-pentanediol |
