4L8Q
Crystal structure of Canavalia grandiflora seed lectin complexed with X-Man.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-27 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.47 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.422, 65.152, 106.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.290 - 2.300 |
R-factor | 0.228 |
Rwork | 0.226 |
R-free | 0.26680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ovu |
RMSD bond length | 0.021 |
RMSD bond angle | 2.121 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 10.290 | 2.360 | |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.138 | 0.136 | 0.316 |
Number of reflections | 10110 | 99 | 746 |
<I/σ(I)> | 10 | 12.5 | 5.16 |
Completeness [%] | 99.4 | 70.2 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.05 M cadmium sulfate hydrate, 0.1 M HEPES buffer, and 1.0 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.5 |