6MVZ
Mle-Phe-Mle-Phe. Linear precursor of 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 | 8.255, 19.173, 23.446 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.440 - 0.830 |
R-factor | 0.0675 |
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] | 23.440 | 0.850 |
High resolution limit [Å] | 0.830 | 0.830 |
Rmerge | 0.117 | 0.127 |
Rpim | 0.033 | 0.038 |
Number of reflections | 4332 | 253 |
<I/σ(I)> | 22.9 | 16.5 |
Completeness [%] | 98.0 | 83.8 |
Redundancy | 14.3 | 11.9 |
CC(1/2) | 0.989 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | ethanol, water |