7EIS
Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 0S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.786, 94.290, 228.989 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.980 - 2.500 |
| R-factor | 0.2071 |
| Rwork | 0.204 |
| R-free | 0.27780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hn0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.850 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.176 | 0.972 |
| Number of reflections | 37662 | 4184 |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 0.993 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | magnesium acetate, ammonium acetate, polyethylene glycol 3350, HEPES-Na |
