5ZRS
Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S mutant in monoethyl adipate 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 | 2016-11-03 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.457, 63.856, 78.785 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.608 - 1.400 |
R-factor | 0.1626545997 |
Rwork | 0.161 |
R-free | 0.19154 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wfj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.342 |
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 | 1.490 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 50522 | 8011 |
<I/σ(I)> | 11.5 | 2.1 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 6.6 | 6.1 |
CC(1/2) | 0.998 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.01 M ZnSO4 0.1 M MES pH 6.5 25% v/v PEG MME 550 |