8YJ9
Crystallization Studies of Concanavalin A in-Complex with D-Arabinose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-02 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5406 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 61.882, 86.627, 88.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.900 - 2.200 |
| R-factor | 0.17176 |
| Rwork | 0.169 |
| R-free | 0.22135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.329 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.900 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.190 | 0.501 |
| Rmeas | 0.210 | 0.585 |
| Rpim | 0.088 | 0.298 |
| Number of reflections | 12438 | 1064 |
| <I/σ(I)> | 35.2 | 5.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.5 | 3.7 |
| CC(1/2) | 0.967 | 0.737 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | Crystallization solution was comprised of sodium acetate (100 mM, pH=5), PEG6000 (5%), and Ammoniun Sulphate (2M) in hanging drop vapor diffusion setup. |
