8Z2G
MHET bound form of PET-degrading cutinase mutant Cut190*SS_S176A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 3 |
| Unit cell lengths | 83.025, 83.025, 64.501 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.010 - 1.900 |
| R-factor | 0.2019 |
| Rwork | 0.175 |
| R-free | 0.20280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cts |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.534 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.010 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 39011 | 6294 |
| <I/σ(I)> | 6.9 | 1.4 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 3.4 | 3.2 |
| CC(1/2) | 0.990 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 0.13 M Ammonium sulfate, 0.66 M MES pH 6.5, 20% (w/v) PEG monomethyl ether 5,000 |
