7VWN
The structure of an engineered PET hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-07-07 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.588, 50.536, 41.370 |
| Unit cell angles | 90.00, 92.46, 90.00 |
Refinement procedure
| Resolution | 32.950 - 1.450 |
| R-factor | 0.1559 |
| Rwork | 0.155 |
| R-free | 0.17880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eqe |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.392 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.063 | 0.380 |
| Number of reflections | 42326 | 3822 |
| <I/σ(I)> | 23.3 | 2.8 |
| Completeness [%] | 98.2 | 91 |
| Redundancy | 6.7 | 6 |
| CC(1/2) | 0.990 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 1.8 M (NH4)2SO4, 0.1 M NaCl and 0.1 M MES pH6.0 |
