1UH1
Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 129.446, 129.446, 158.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 2.800 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jac |
| RMSD bond length | 0.012 |
| RMSD bond angle | 26.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.119 | 0.464 |
| Total number of observations | 81752 * | |
| Number of reflections | 19332 | 1860 * |
| Completeness [%] | 97.4 | 97 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.3 | 293 | PEG 4000, NaCl, sodium azide, Phosphate buffer, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | phosphate | 0.02 (M) | pH7.3 |
| 3 | 1 | drop | 0.1 (M) | ||
| 4 | 1 | drop | sodium azide | 0.025 (%(w/v)) | |
| 5 | 1 | drop | PEG4000 | 8-10 (%) | |
| 6 | 1 | reservoir | PEG4000 | 40 (%) |
