7YKE
Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate
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 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.069, 94.497, 229.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.070 - 1.880 |
| R-factor | 0.1714 |
| Rwork | 0.169 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7eis |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.928 |
| 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 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.096 | 0.886 |
| Number of reflections | 87996 | 4419 |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 0.998 | 0.736 |
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 |
