8XHO
Deep sea bacterial PET plastic hydrolase MtCut with mutation S178C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-04 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.148, 85.560, 69.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.640 - 2.500 |
R-factor | 0.22563 |
Rwork | 0.222 |
R-free | 0.25624 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.640 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.150 | 0.406 |
Rmeas | 0.159 | 0.441 |
Rpim | 0.050 | 0.169 |
Total number of observations | 13904 | |
Number of reflections | 18742 | 2080 |
<I/σ(I)> | 12.4 | 4.2 |
Completeness [%] | 99.7 | |
Redundancy | 9.7 | 6.7 |
CC(1/2) | 0.993 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES pH6.5; 40% v/v PEG 500 MME; 20 % w/v PEG 20000 |