7EIQ
Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-07 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.272, 94.528, 229.231 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.050 - 1.800 |
| R-factor | 0.1734 |
| Rwork | 0.171 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hn0 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.074 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.101 | 0.814 |
| Number of reflections | 100438 | 4953 |
| <I/σ(I)> | 11.3 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.1 |
| CC(1/2) | 0.997 | 0.711 |
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 |
