8UX7
Dioclea megacarpa lectin (DmegA) complexed with X-Man
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.46 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 89.350, 109.414, 126.364 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.661 - 2.200 |
| Rwork | 0.201 |
| R-free | 0.24830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.477 |
| Data reduction software | MOSFLM (7.4.0) |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP (11.0) |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.661 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.088 | 1.148 |
| Rmeas | 0.092 | 1.193 |
| Rpim | 0.025 | 0.322 |
| Total number of observations | 36823 | |
| Number of reflections | 31790 | 2714 |
| <I/σ(I)> | 21.6 | 2.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 | 13.6 |
| CC(1/2) | 1.000 | 0.853 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.8M Potassium sodium tartrate tetrahydrate, 0.1M Tris pH 8.5, 0.5% PEGME 5000 |
