5I8X
Bicyclic antimibrocial peptides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000040 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.424, 79.202, 52.627 |
| Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
| Resolution | 48.273 - 1.890 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ce8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.884 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.273 | 2.000 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.184 | 0.604 |
| Number of reflections | 31514 | |
| <I/σ(I)> | 6.13 | 2.3 |
| Completeness [%] | 98.9 | 95.6 |
| Redundancy | 3.33 | |
| CC(1/2) | 0.983 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.2 M Ammonium Acetate 0.1 M Sodium Acetate 30 w/v PEG4000 |
