3CA0
Sambucus nigra agglutinin II (SNA-II), hexagonal crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.937 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 120.204, 120.204, 177.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.17259 |
| Rwork | 0.171 |
| R-free | 0.19412 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | chain B of ricin PDN entry 2AAI |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.907 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.300 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.083 | 0.324 |
| Number of reflections | 57308 | |
| <I/σ(I)> | 13.7 | 2.1 |
| Completeness [%] | 95.5 | 70 |
| Redundancy | 5 | 2.1 |
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 |
