8YYA
Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-19 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5406 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 61.781, 86.546, 88.637 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.740 - 2.960 |
| R-factor | 0.19918 |
| Rwork | 0.195 |
| R-free | 0.27389 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.422 |
| 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] | 20.740 | 3.140 |
| High resolution limit [Å] | 2.940 | 2.940 |
| Rmerge | 0.175 | 0.296 |
| Number of reflections | 5189 | 829 |
| <I/σ(I)> | 11.8 | 5.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 1.8 | |
| CC(1/2) | 0.910 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.5 | 0. 1M Sodium Accetate buffer pH 5.0 , 5% PEG 6000, 2 M Ammonium Sulphate. |
