5O7W
Crystal structure of the 4-FLUORO RSL lectin in complex with Lewis x tetrasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.93221 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 130.465, 130.465, 130.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.350 |
| R-factor | 0.12799 |
| Rwork | 0.127 |
| R-free | 0.15573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o7v |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.803 |
| Data reduction software | XDS (20160617) |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.052 | 0.164 |
| Rpim | 0.023 | 0.074 |
| Number of reflections | 40182 | 1980 |
| <I/σ(I)> | 22.6 | 8.7 |
| Completeness [%] | 99.5 | 98 |
| Redundancy | 6.8 | 6.6 |
| CC(1/2) | 0.995 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | Morpheus 1-9: 60mM divalent, 100 mM buffer pH 7.5, 20% peg550MME and 10M peg20K |
