9LMS
Crystal structure of Pichia pastoris-expressed FAST-PETase-N212A/K233C/S282C variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-13 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.000, 51.018, 83.971 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.160 - 1.710 |
| R-factor | 0.13977 |
| Rwork | 0.138 |
| R-free | 0.17129 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.950 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.160 | 1.810 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.034 | 0.067 |
| Number of reflections | 24277 | 1176 |
| <I/σ(I)> | 40.32 | |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 8.76 | 3.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 25% PEG 1500, 0.1 M MMT, pH 9.0 |
