1KUJ
Crystal structure of Jacalin complexed with 1-O-methyl-alpha-D-mannose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2000-03-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.795, 82.612, 63.482 |
| Unit cell angles | 90.00, 106.80, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.000 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.23500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ku8 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.750 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | |
| High resolution limit [Å] | 1.900 * | |
| Rmerge | 0.042 * | 0.127 * |
| Total number of observations | 140888 * | |
| Number of reflections | 38468 * | |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 98.1 | 88.5 * |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.4 * | 20 * | 20% PEG 8K, 10% ISOPROPANOL (V/V), 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | pH7.4 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | protein | 18.5 (mg/ml) | |
| 4 | 1 | reservoir | PEG8000 | 20-22 (%) | |
| 5 | 1 | reservoir | isopropanol | 10 (%(v/v)) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
