8VEL
IsPETase - ACCCC 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 | 50.837, 68.385, 79.122 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.740 - 1.624 |
R-factor | 0.1778 |
Rwork | 0.177 |
R-free | 0.19850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.738 | 1.739 |
High resolution limit [Å] | 1.624 | 1.624 |
Rmerge | 0.155 | 1.698 |
Rmeas | 0.161 | 1.784 |
Rpim | 0.043 | 0.531 |
Number of reflections | 29388 | 1469 |
<I/σ(I)> | 13.3 | |
Completeness [%] | 94.5 | 63.9 |
Redundancy | 13.3 | 10.4 |
CC(1/2) | 0.999 | 0.513 |
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 |