4R6R
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.440, 80.250, 62.970 |
| Unit cell angles | 90.00, 107.68, 90.00 |
Refinement procedure
| Resolution | 24.440 - 1.380 |
| R-factor | 0.17928 |
| Rwork | 0.178 |
| R-free | 0.20694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ku8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.988 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.000 | 24.440 | 1.460 |
| High resolution limit [Å] | 1.380 | 4.370 | 1.380 |
| Number of reflections | 113064 | ||
| <I/σ(I)> | 10.1 | 26.6 | 1.7 |
| Completeness [%] | 99.8 | 97.8 | 99 |
| Redundancy | 4.1 | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 15% PEG 8000, 0.1M HEPES, pH 7.4; 10% (v/v) isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
