7CEH
Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S/ mutant with the C-terminal three residues deletion in ligand ejecting form
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 | 2019-10-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.420, 49.101, 122.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.600 - 1.090 |
R-factor | 0.1324 |
Rwork | 0.131 |
R-free | 0.15250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wfi |
RMSD bond length | 0.004 |
RMSD bond angle | 0.828 |
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] | 50.000 | 1.130 |
High resolution limit [Å] | 1.090 | 1.090 |
Number of reflections | 87545 | 5471 |
<I/σ(I)> | 19.7 | 2 |
Completeness [%] | 94.7 | |
Redundancy | 20 | |
CC(1/2) | 0.999 | 0.689 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100mM Tris-HCl, 22% w/v PEG 8000 |