6KUO
Crystal strcuture of PETase N246D mutant from Ideonella sakaiensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-09-16 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.361, 51.006, 51.027 |
Unit cell angles | 90.00, 109.93, 90.00 |
Refinement procedure
Resolution | 31.060 - 1.900 |
R-factor | 0.1645 |
Rwork | 0.163 |
R-free | 0.18830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xjh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.669 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.077 | 0.329 |
Number of reflections | 21787 | 1072 |
<I/σ(I)> | 29.78 | |
Completeness [%] | 99.7 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 17% PEG 10K, 0.1M Bis-Tris, pH 5.0, 0.15M Ammonium acetate |