8ETY
Ancestral PETase 35_442
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 | 2022-07-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 69.759, 148.498, 55.554 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.370 - 1.540 |
R-factor | 0.1709 |
Rwork | 0.169 |
R-free | 0.19910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qgc |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.370 | 40.370 | 1.570 |
High resolution limit [Å] | 1.540 | 8.440 | 1.540 |
Rmerge | 0.188 | 0.064 | 5.988 |
Rmeas | 0.196 | 0.067 | 6.232 |
Rpim | 0.054 | 0.019 | 1.715 |
Total number of observations | 559191 | 3537 | 28199 |
Number of reflections | 43143 | 312 | 2112 |
<I/σ(I)> | 10.6 | 34.1 | 1 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 13 | 11.3 | 13.4 |
CC(1/2) | 0.998 | 0.998 | 0.385 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 0.1M Bis Tris Propane pH 6.5, 0.2M Sodium malonate |