9HYD
PETaseSM14 from marine-sponge Streptomyces sp.
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 | 2024-01-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.7133 |
| Spacegroup name | P 61 |
| Unit cell lengths | 96.983, 96.983, 44.815 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.990 - 1.425 |
| Rwork | 0.136 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.623 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.990 | 1.450 |
| High resolution limit [Å] | 1.425 | 1.425 |
| Number of reflections | 45062 | 2230 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 21.3 | |
| CC(1/2) | 0.999 | 0.305 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 30% w/v Polyethylene glycol monomethyl ether 5,000 |
