7EC8
Polyethylene terephthalate hydrolyzing lipase PET2 mutant - F105R-E110K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AichiSR BEAMLINE BL2S1 |
| Synchrotron site | AichiSR |
| Beamline | BL2S1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-10-14 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.12 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.050, 72.490, 98.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.400 - 1.350 |
| R-factor | 0.1698 |
| Rwork | 0.168 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.121 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.400 | 1.430 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.077 | 1.240 |
| Number of reflections | 111811 | 17635 |
| <I/σ(I)> | 23.9 | 2.3 |
| Completeness [%] | 99.5 | 97.9 |
| Redundancy | 13.9 | 13.6 |
| CC(1/2) | 1.000 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1 M ammonium sulfate in 100 mM Tris-HCl pH 8.0 |
