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 |