3WCS
Crystal structure of plant lectin (ligand-bound form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2012-10-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.579, 196.193, 98.655 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.100 - 1.750 |
| R-factor | 0.23754 |
| Rwork | 0.237 |
| R-free | 0.25462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wcr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.332 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.780 |
| High resolution limit [Å] | 1.700 | 1.750 |
| Number of reflections | 74124 | |
| <I/σ(I)> | 42.1 | 5.7 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M Bis-tris (pH 5.5), 2.0M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
