21FN
Crystal structure of high-molecular-weight PAH dihydrodiol dehydrogenase PahB from Altererythrobacter sp. H2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.540, 79.353, 94.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.859 - 1.600 |
| R-factor | 0.1504 |
| Rwork | 0.149 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.095 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.470 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.809 |
| Rmeas | 0.072 | 0.843 |
| Rpim | 0.020 | 0.237 |
| Total number of observations | 488040 | 22809 |
| Number of reflections | 37495 | 1837 |
| <I/σ(I)> | 19.4 | 3.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 13 | 12.4 |
| CC(1/2) | 0.999 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | MgCl2, HEPES pH 7.5, PEG MME 550 |
