4R6N
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-12-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.531, 80.896, 63.209 |
| Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
| Resolution | 60.090 - 1.670 |
| R-factor | 0.1729 |
| Rwork | 0.170 |
| R-free | 0.22097 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ku8 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.038 |
| 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] | 60.090 | 45.960 | 1.770 |
| High resolution limit [Å] | 1.670 | 5.310 | 1.680 |
| Number of reflections | 62327 | ||
| <I/σ(I)> | 10.8 | 27.3 | 2.3 |
| Completeness [%] | 97.1 | 99.3 | 92.3 |
| Redundancy | 5.7 | 7.3 | 1.8 |
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 |
