5J4T
Structure of tetrameric jacalin complexed with GlcNAc beta-(1,3) Gal-beta-OMe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-08-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.310, 80.650, 62.850 |
| Unit cell angles | 90.00, 107.90, 90.00 |
Refinement procedure
| Resolution | 48.450 - 1.940 |
| R-factor | 0.1805 |
| Rwork | 0.176 |
| R-free | 0.22509 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ku8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.953 |
| Data reduction software | iMOSFLM (1.0.5) |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.3) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.450 | 2.040 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.225 | |
| Number of reflections | 40706 | |
| <I/σ(I)> | 7.9 | 4.6 |
| Completeness [%] | 99.1 | 94.1 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 50mM NaCl, 15% poly(ethylene glycol) 8000, 10% isopropanol, 100 mM HEPES (pH 7.4) |
