8ZJ5
Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-22 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 87.041, 94.469, 167.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.721 - 2.800 |
| Rwork | 0.260 |
| R-free | 0.30310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.372 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.460 | 2.940 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.230 | 0.814 |
| Rmeas | 0.248 | 0.890 |
| Number of reflections | 34601 | 4534 |
| <I/σ(I)> | 6.8 | 1.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 12.8 | 10.4 |
| CC(1/2) | 0.970 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 295 | 0.2 M Potassium sodium tartrate tetrahydrate 20% w/v Polyethylene glycol 3,350 pH 7.4 |
