8CMV
Engineered PETase enzyme from LCC - C09 mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.73380 |
| Spacegroup name | P 63 |
| Unit cell lengths | 108.876, 108.876, 35.402 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.497 - 1.280 |
| Rwork | 0.163 |
| R-free | 0.18710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.711 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.497 | 1.302 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Number of reflections | 62178 | 3088 |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20.8 | |
| CC(1/2) | 0.998 | 0.346 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | Sodium citrate tribasic dihydrate 1M Isopropanol 20% PEG 4K 20% |
