7EC8
Polyethylene terephthalate hydrolyzing lipase PET2 mutant - F105R-E110K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AichiSR BEAMLINE BL2S1 |
Synchrotron site | AichiSR |
Beamline | BL2S1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-10-14 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.12 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.050, 72.490, 98.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.400 - 1.350 |
R-factor | 0.1698 |
Rwork | 0.168 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.121 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.400 | 1.430 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.077 | 1.240 |
Number of reflections | 111811 | 17635 |
<I/σ(I)> | 23.9 | 2.3 |
Completeness [%] | 99.5 | 97.9 |
Redundancy | 13.9 | 13.6 |
CC(1/2) | 1.000 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1 M ammonium sulfate in 100 mM Tris-HCl pH 8.0 |