7V28
Crystal Structure of phthalate dioxygenase in complex with terephthalate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.250, 122.670, 163.500 |
| Unit cell angles | 90.00, 101.12, 90.00 |
Refinement procedure
| Resolution | 160.430 - 3.070 |
| R-factor | 0.2148 |
| Rwork | 0.212 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7fhr |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.440 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 160.430 | 3.140 |
| High resolution limit [Å] | 3.070 | 3.070 |
| Number of reflections | 63600 | 4570 |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 97.6 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.985 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG4000, magnesium chloride, calcium chloride, sodium potassium tartrate |
