5XS8
Crystal structure of solute-binding protein complexed with unsaturated chondroitin disaccharide with two sulfate groups at C-4 and C-6 positions of GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-16 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.741, 69.208, 165.967 |
| Unit cell angles | 89.99, 90.04, 90.03 |
Refinement procedure
| Resolution | 40.402 - 1.952 |
| R-factor | 0.1752 |
| Rwork | 0.173 |
| R-free | 0.21550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gub |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.803 |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 1.950 | |
| Rmerge | 0.076 | 0.134 |
| Number of reflections | 160541 | |
| <I/σ(I)> | 29.2 | |
| Completeness [%] | 97.4 | |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18% (w/v) PEG 4000, 20% (w/v) isopropanol, 0.1 M Na HEPES (pH 7.5) |
