3CAH
Sambucus nigra aggutinin II. tetragonal crystal form- complexed to fucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-09-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9795 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 126.124, 126.124, 76.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.550 |
R-factor | 0.12485 |
Rwork | 0.123 |
R-free | 0.16707 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | SAMBUCUS NIGRA AGGLUTININ ii 6 TETRGONAL CRYSTAL FORM |
RMSD bond length | 0.021 |
RMSD bond angle | 2.026 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.680 | 1.640 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.044 | 0.095 |
Number of reflections | 43501 | |
<I/σ(I)> | 32.4 | 11.5 |
Completeness [%] | 98.8 | 92.9 |
Redundancy | 5.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | PROTEIN 16 MG/ML, AMMONIUM SULFATE 2.0 M, SODIUM ACETATE 100 mM, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |