5I8M
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 | 48.309, 79.365, 52.584 |
| Unit cell angles | 90.00, 94.46, 90.00 |
Refinement procedure
| Resolution | 48.162 - 2.130 |
| R-factor | 0.1816 |
| Rwork | 0.179 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ce8 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.832 |
| 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] | 48.162 | 2.260 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.159 | 0.490 |
| Number of reflections | 21998 | |
| <I/σ(I)> | 7.66 | 2.86 |
| Completeness [%] | 98.9 | 95.6 |
| Redundancy | 3.41 | |
| CC(1/2) | 0.988 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M sodium acetate, 0.1 M Tris, 30% v/w PEG 4000 |
