4U2A
Structure of a lectin from the seeds of Vatairea macrocarpa complexed with GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.872 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.262, 85.520, 129.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.350 - 1.740 |
| R-factor | 0.1631 |
| Rwork | 0.162 |
| R-free | 0.18820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.056 |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.350 | 1.840 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.123 | 0.540 |
| Number of reflections | 32066 | |
| <I/σ(I)> | 4.1 | |
| Completeness [%] | 99.2 | 94.3 |
| Redundancy | 5.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | Citric acid buffer, ammonium sulphate |
