2OFC
The crystal structure of Sclerotium rolfsii lectin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-07-05 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8441 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 99.811, 99.811, 63.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.490 - 1.110 |
R-factor | 0.11963 |
Rwork | 0.119 |
R-free | 0.13275 |
Structure solution method | MIR |
RMSD bond length | 0.010 |
RMSD bond angle | 1.456 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.034 | |
Number of reflections | 127739 | |
<I/σ(I)> | 27.4 | 13.1 |
Completeness [%] | 98.1 | 82.3 |
Redundancy | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.2 M ammonium acetate, 0.1 M Tris/HCl, 30% MPD, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |