5MAS
Peptaibol Bergofungin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.7293 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 48.275, 8.932, 24.604 |
| Unit cell angles | 90.00, 119.72, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.840 |
| R-factor | 0.103 |
| R-free | 0.13100 |
| Structure solution method | AB INITIO PHASING |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXS (2013/1) |
| Refinement software | SHELXL (2014/3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 0.940 |
| High resolution limit [Å] | 0.840 | 0.840 |
| Rmerge | 0.095 | 0.350 |
| Number of reflections | 12250 | |
| <I/σ(I)> | 4.7 | 1.72 |
| Completeness [%] | 84.3 | 52.8 |
| Redundancy | 1.65 | 0.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | methanol/water |
