4U36
Crystal structure of a seed lectin from Vatairea macrocarpa complexed with Tn-antigen
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 | 2013-12-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.915 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 56.076, 85.808, 129.057 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.460 - 1.400 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fnz |
RMSD bond length | 0.015 |
RMSD bond angle | 1.547 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.455 | 42.904 | 1.470 |
High resolution limit [Å] | 1.398 | 4.420 | 1.400 |
Rmerge | 0.041 | 0.268 | |
Rmeas | 0.064 | ||
Rpim | 0.025 | 0.018 | 0.115 |
Total number of observations | 401990 | 13017 | 54800 |
Number of reflections | 61513 | ||
<I/σ(I)> | 18.6 | 39.8 | 5.7 |
Completeness [%] | 99.5 | 99.8 | 96.9 |
Redundancy | 6.5 | 6.2 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | Citric acid buffers, ammonium sulphate. |