5J4X
Structure of tetrameric jacalin complexed with Gal 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 | 2015-08-25 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.629, 82.181, 63.060 |
Unit cell angles | 90.00, 107.42, 90.00 |
Refinement procedure
Resolution | 35.710 - 1.650 |
R-factor | 0.19629 |
Rwork | 0.194 |
R-free | 0.24027 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ku8 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.022 |
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] | 35.710 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.443 | |
Number of reflections | 66777 | |
<I/σ(I)> | 10.5 | 1.9 |
Completeness [%] | 98.9 | 92.8 |
Redundancy | 5.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 10 mM HEPES buffer (pH 7.4), 150 mM NaCl, 15% poly(ethylene glycol) 8000, 10% (v/v) isopropanol, 100mM HEPES (pH 7.4) |