8D1D
PROSS PETase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.586, 159.173, 45.043 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 39.790 - 1.420 |
| R-factor | 0.1999 |
| Rwork | 0.198 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xjh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.946 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.040 | 1.450 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.147 | 0.929 |
| Rpim | 0.065 | |
| Number of reflections | 177110 | 8075 |
| <I/σ(I)> | 7.2 | 1.3 |
| Completeness [%] | 98.7 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.990 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 20% v/v glycerol, 0.08 M sodium cacodylate, 14.4% w/v PEG 8K, 0.16M calcium acetate, pH 6.5 |
