7EIR
Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 6S
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 | 49.324, 94.776, 229.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.130 - 1.920 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.21040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hn0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.901 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.128 | 0.846 |
| Number of reflections | 83417 | 4522 |
| <I/σ(I)> | 10.3 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.8 |
| CC(1/2) | 0.996 | 0.746 |
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 |
