9IOY
Isophthalate dioxygenase in complex with isophthalate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-30 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 146.956, 146.956, 146.956 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.220 - 3.300 |
| R-factor | 0.17652 |
| Rwork | 0.175 |
| R-free | 0.21764 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.958 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.220 | 3.570 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.935 | |
| Number of reflections | 15945 | 10174 |
| <I/σ(I)> | 9.9 | 2.9 |
| Completeness [%] | 98.7 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | ammonium fluoride 0.2 M, PEG 3350 20%, 0.1 M MES pH 6.0 |
