8R1R
Structure of the Diels Alderase TedJ, in complex with cofactor FAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 70.250, 70.250, 203.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.500 - 1.590 |
| R-factor | 0.20877 |
| Rwork | 0.207 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.534 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.850 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.153 | |
| Number of reflections | 69717 | 3433 |
| <I/σ(I)> | 13.27 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 25.2 | 21.46 |
| CC(1/2) | 1.000 | 0.385 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.4 M sodium acetate trihydrate, 0.1 M sodium cacodylate, pH 6.5 |
