8VEM
IsPETase - ACCE mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-27 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.778, 59.085, 78.602 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.230 - 1.711 |
| R-factor | 0.2136 |
| Rwork | 0.212 |
| R-free | 0.25110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.229 | 1.858 |
| High resolution limit [Å] | 1.711 | 1.711 |
| Rmerge | 0.166 | 1.916 |
| Rmeas | 0.173 | 2.003 |
| Rpim | 0.047 | 0.574 |
| Number of reflections | 16551 | 829 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 93.0 | 54.3 |
| Redundancy | 13.2 | 11.9 |
| CC(1/2) | 0.999 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.138 M ammonium sulfate, 30 w/v polyethylene glycol 8000 |
