9DXB
Crystal structure of cobalt-incorporated human 2-aminoethanethiol (aka cysteamine) dioxygenase (ADO) variant C18S/C239S in complex with CP6-L8d-Gly-Ser
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 36.015, 71.879, 108.894 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.400 - 1.740 |
| R-factor | 0.1782 |
| Rwork | 0.176 |
| R-free | 0.21770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.006 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.400 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.055 | 0.800 |
| Number of reflections | 30023 | 1527 |
| <I/σ(I)> | 22.4 | 3.2 |
| Completeness [%] | 99.8 | 96 |
| Redundancy | 13 | 12.4 |
| CC(1/2) | 0.999 | 0.852 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M BIS-Tris, pH 5.5, 25% w/v PEG3350 |
