8VEK
IsPETase - ACC mutant
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 | 2019-08-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.764, 68.410, 79.298 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.250 - 1.140 |
| R-factor | 0.1275 |
| Rwork | 0.126 |
| R-free | 0.15050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.438 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.800 | 1.210 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.048 | 1.703 |
| Rmeas | 0.050 | 1.814 |
| Rpim | 0.014 | 0.601 |
| Number of reflections | 89827 | 8062 |
| <I/σ(I)> | 18.6 | 0.9 |
| Completeness [%] | 90.9 | 57.1 |
| Redundancy | 12.6 | 8.5 |
| CC(1/2) | 1.000 | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.208 M ammonium sulfate, 23.2 w/v polyethylene glycol 8000 |
