9NQO
Crystal structure of Galectin-3 in complex with FN3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-08-16 |
| Detector | MAR CCD 300 mm |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.614, 50.234, 97.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.670 - 2.040 |
| R-factor | 0.3 |
| Rwork | 0.300 |
| R-free | 0.40000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.810 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.670 | 2.100 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Number of reflections | 39872 | 5995 |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 8.4 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1.5M ammonium sulfate with 0.1M BIS-TRIS pH 6.5 |
