5ZNO
Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S/ mutant in Ca(2+)-bound state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2016-12-09 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.705, 49.732, 95.655 |
| Unit cell angles | 90.00, 99.59, 90.00 |
Refinement procedure
| Resolution | 47.718 - 1.603 |
| R-factor | 0.181415484335 |
| Rwork | 0.179 |
| R-free | 0.22179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wfj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.062 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 75063 | 12065 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.992 | 0.518 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 10% w/v PEG 8000, 8% v/v Ethylene glycol |
