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 |
