6FLY
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with mannose.
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 | 2014-03-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 86.680, 86.680, 257.270 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.842 - 2.749 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.22110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6flw |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.981 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2152: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.842 | 2.920 |
| High resolution limit [Å] | 2.749 | 2.749 |
| Rmerge | 0.196 | 1.270 |
| Number of reflections | 28132 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 12.4 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 4M sodium nitrate, 0.1 M Tris-HCl pH 8.5; protein solution 17mg/ml in H2O |
