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 |