8ETZ
Ancestral PETase 35_442 Mutant E13D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 69.533, 149.488, 55.634 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.710 - 1.680 |
R-factor | 0.1556 |
Rwork | 0.155 |
R-free | 0.17380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qgc |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.710 | 41.710 | 1.710 |
High resolution limit [Å] | 1.680 | 9.050 | 1.680 |
Rmerge | 0.178 | 0.062 | 4.612 |
Rmeas | 0.186 | 0.065 | 4.805 |
Rpim | 0.052 | 0.019 | 1.339 |
Total number of observations | 433610 | 2808 | 21611 |
Number of reflections | 33515 | 255 | 1696 |
<I/σ(I)> | 11.2 | 37.2 | 1 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 12.9 | 11 | 12.7 |
CC(1/2) | 0.999 | 0.998 | 0.471 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 0.2M Sodium citrate |