8J45
Crystal structure of a Pichia pastoris-expressed IsPETase variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-04 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.074, 51.271, 84.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.210 - 1.490 |
| R-factor | 0.13688 |
| Rwork | 0.136 |
| R-free | 0.16039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.986 |
| 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] | 36.210 | 1.510 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.043 | 0.089 |
| Number of reflections | 35713 | 1443 |
| <I/σ(I)> | 38.82 | 11.47 |
| Completeness [%] | 96.3 | |
| Redundancy | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Sodium chloride, 0.1M Sodium formate, 0.1M Bis-Tris propane pH 8.5, 25% v/v PEG Smear Medium |
