2OFD
The Crystal Structure of Sclerotium rolfsii lectin in complex with N-acetyl-D-galactosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-22 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8128 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 99.485, 99.485, 64.007 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.960 |
R-factor | 0.16262 |
Rwork | 0.161 |
R-free | 0.19299 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2ofc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.990 |
High resolution limit [Å] | 1.960 | 1.960 |
Number of reflections | 22675 | |
<I/σ(I)> | 18.2 | 5.2 |
Completeness [%] | 97.7 | 95.9 |
Redundancy | 2.3 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.2 M ammonium acetate, 30 % MPD, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |