6FX1
Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 91.000, 95.593, 110.633 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.880 - 2.100 |
| R-factor | 0.18567 |
| Rwork | 0.184 |
| R-free | 0.21925 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PhosL |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.851 |
| Data reduction software | XDS (20160617) |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.880 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.045 | 0.466 |
| Number of reflections | 56993 | |
| <I/σ(I)> | 18.6 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 3.2 M Na malonate pH5 |
