7CTS
Open form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2019-12-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9800 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.623, 64.984, 78.453 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.020 - 1.100 |
R-factor | 0.143 |
Rwork | 0.142 |
R-free | 0.16240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wfj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.164 |
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] | 31.000 | 1.160 |
High resolution limit [Å] | 1.100 | 1.100 |
Number of reflections | 125717 | 19227 |
<I/σ(I)> | 13.4 | 1.1 |
Completeness [%] | 96.0 | |
Redundancy | 5.8 | |
CC(1/2) | 0.999 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Bicine, 2% (v/v) 1,4-dioxane, 10% (w/v) PEG 20000 |