6MW1
cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.71075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 9.633, 12.706, 26.415 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.420 - 0.770 |
Rwork | 0.044 |
Structure solution method | AB INITIO PHASING |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELXS |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.420 | 0.790 |
High resolution limit [Å] | 0.770 | 0.770 |
Rmerge | 0.078 | 0.141 |
Rpim | 0.024 | 0.043 |
Number of reflections | 4124 | 279 |
<I/σ(I)> | 27 | 19.6 |
Completeness [%] | 98.3 | 91.7 |
Redundancy | 11.9 | 11.8 |
CC(1/2) | 0.993 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | methanol, water |