3D4K
Concanavalin A Complexed to a Synthetic Analog of the Trimannoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.935 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.015, 63.547, 126.215 |
| Unit cell angles | 90.00, 86.91, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.221 |
| Rwork | 0.205 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qd0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.526 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.566 |
| Number of reflections | 87296 | |
| <I/σ(I)> | 13.5 | 2.9 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 4.1 | 1.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 10-16% PEG 6000, 100 mM Sodium cacodylate, 50 mM NaCL, 1 mM MnCL2, 1 mM CaCL2, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
