6NIV
Racemic Phenol-Soluble Modulin Alpha 3 Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.68880 |
| Spacegroup name | P -1 |
| Unit cell lengths | 11.160, 28.360, 29.410 |
| Unit cell angles | 111.79, 94.27, 95.12 |
Refinement procedure
| Resolution | 16.016 - 1.450 |
| R-factor | 0.1832 |
| Rwork | 0.179 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i55 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.127 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.020 | 1.502 |
| High resolution limit [Å] | 1.450 | 1.451 |
| Rmerge | 0.063 | 0.577 |
| Rmeas | 0.089 | 0.816 |
| Rpim | 0.063 | 0.577 |
| Number of reflections | 5252 | 330 |
| <I/σ(I)> | 5 | 1.09 |
| Completeness [%] | 89.3 | 56.7 |
| Redundancy | 1.8 | 1.7 |
| CC(1/2) | 0.995 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M KCl, 0.05 M HEPES pH 7.5, 35% v/v pentaerythritol propoxylate, 5/4 PO/OH |
