6PLH
FAB fragment complexed with C-mannosylated tryptophan peptide
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 | 2018-10-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953664 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.232, 89.892, 59.317 |
| Unit cell angles | 90.00, 95.94, 90.00 |
Refinement procedure
| Resolution | 44.946 - 1.600 |
| R-factor | 0.1908 |
| Rwork | 0.189 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5myk |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.950 | 44.950 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.073 | 0.037 | 1.446 |
| Rmeas | 0.080 | 0.041 | 1.609 |
| Rpim | 0.033 | 0.018 | 0.694 |
| Total number of observations | 339287 | 1910 | 13412 |
| Number of reflections | 58074 | 362 | 2618 |
| <I/σ(I)> | 12.1 | 41.8 | 1 |
| Completeness [%] | 97.7 | 94.7 | 89.9 |
| Redundancy | 5.8 | 5.3 | 5.1 |
| CC(1/2) | 0.999 | 0.997 | 0.393 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% (w/v) polyethylene glycol 1500, 0.1 M succinate-phosphate-glycine, pH 7.0 |
