5JM1
Structure of tetrameric jacalin complexed with a trisaccharide, Gal alpha-(1,3) Gal beta-(1,4) Gal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-08-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.490, 81.580, 63.000 |
Unit cell angles | 90.00, 107.65, 90.00 |
Refinement procedure
Resolution | 46.010 - 1.950 |
R-factor | 0.18618 |
Rwork | 0.180 |
R-free | 0.23743 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ku8 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.897 |
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] | 46.010 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.337 | |
Number of reflections | 38922 | |
<I/σ(I)> | 8.2 | 3.7 |
Completeness [%] | 94.8 | 91 |
Redundancy | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.4 | 298 | 100 mM HEPES (pH 7.4), 15% poly(ethylene glycol) 8000, 10% (v/v) isopropanol |