7KDX
Crystal structure of Streptomyces tokunonesis TokK with hydroxycobalamin, 5'-deoxyadenosine, and methionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.03313 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.644, 137.739, 77.914 |
| Unit cell angles | 90.00, 90.47, 90.00 |
Refinement procedure
| Resolution | 41.353 - 1.791 |
| R-factor | 0.1654 |
| Rwork | 0.165 |
| R-free | 0.19300 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.699 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.840 | |
| Number of reflections | 132404 | 6514 |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 97.8 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM magnesium chloride, 100 mM calcium chloride, 20% PEG 8000, and 10% 1,6-hexanediol |
