1QGL
Room temperature structure of concanavalin A complexed to bivalent ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Detector | NONIUS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.100, 127.400, 118.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.000 - 2.660 |
| R-factor | 0.176 * |
| Rwork | 0.176 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cna |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | |
| High resolution limit [Å] | 2.660 | 2.660 * |
| Rmerge | 0.072 | 0.207 * |
| Number of reflections | 21182 * | |
| Completeness [%] | 96.4 * | 98.3 * |
| Redundancy | 2.5 | 2.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 * | 293.5 * | Moothoo, D.N., (1998) Acta Crystallogr, D54, 1023. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.2 (mM) | |
| 2 | 1 | drop | ligand | 18 (mM) | |
| 3 | 1 | drop | Tris | 20 (mM) | |
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | drop | 1 (mM) | ||
| 6 | 1 | drop | 1 (mM) | ||
| 7 | 1 | reservoir | PEG6000 | 20 (%) | |
| 8 | 1 | reservoir | citric acid | 100 (mM) |
