8ZJ7
Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate and NAD.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.885 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 87.303, 98.148, 168.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.001 - 2.650 |
| Rwork | 0.181 |
| R-free | 0.25170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.502 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 168.000 | 2.300 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.116 | 1.257 |
| Rmeas | 0.127 | 1.372 |
| Rpim | 0.052 | 0.543 |
| Number of reflections | 42519 | 3343 |
| <I/σ(I)> | 10.5 | 2.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.8 | |
| CC(1/2) | 0.998 | 0.624 |
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 |
