30EW
XN-IL lectin from Xenorhabdus nematophila in complex with lactose
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.613, 140.319, 94.634 |
| Unit cell angles | 90.00, 113.97, 90.00 |
Refinement procedure
| Resolution | 48.438 - 1.699 |
| Rwork | 0.193 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.565 |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.438 | 1.790 |
| High resolution limit [Å] | 1.690 | 1.700 |
| Rmerge | 0.108 | |
| Rmeas | 0.117 | 1.963 |
| Rpim | 0.044 | 0.726 |
| Number of reflections | 243960 | 35422 |
| <I/σ(I)> | 9.5 | 1.1 |
| Completeness [%] | 98.7 | 98.2 |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.998 | 0.403 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | MgSO4, MES pH 6.5, Ethylene glycol, PEG 400 |
