6W4Z
Galectin-8N terminal domain in complex with Methyl 3-O-[3-O-benzyloxy]-malonyl-beta-D-galactopyranoside
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 | 2019-03-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.391, 40.003, 70.324 |
| Unit cell angles | 90.00, 98.22, 90.00 |
Refinement procedure
| Resolution | 46.310 - 1.590 |
| Rwork | 0.193 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t7s |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.837 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.320 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.116 | 1.538 |
| Rpim | 0.946 | |
| Number of reflections | 41190 | 1987 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.8 | 6.8 |
| CC(1/2) | 0.997 | 0.805 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | 0.1M sodium citrate dihydrate pH 5.6, 20% PEG 4000, 10% IPA |
