6EQD
Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis collected at long wavelength
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-22 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 2.4551 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.556, 234.311, 164.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.325 - 1.700 |
| R-factor | 0.1885 |
| Rwork | 0.188 |
| R-free | 0.20470 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.528 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.300 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.952 |
| Rmeas | 0.058 | 1.082 |
| Rpim | 0.024 | 0.500 |
| Number of reflections | 95250 | 11917 |
| <I/σ(I)> | 18.8 | 1.6 |
| Completeness [%] | 85.3 | 74.1 |
| Redundancy | 9.7 | 8.5 |
| CC(1/2) | 0.999 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | 0.1M MIB (Malonate, Imidazole, Borate) 25% PEG1500 |
