7ECB
Polyethylene terephthalate hydrolyzing lipase PET2 mutant - R47C-G89C-F105R-E110K-S156P-G180A-T297P
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 | 2021-02-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.12 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.240, 86.720, 46.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.080 - 1.830 |
R-factor | 0.152 |
Rwork | 0.150 |
R-free | 0.19250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ec8 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.244 |
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] | 38.080 | 1.940 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.126 | 0.676 |
Number of reflections | 24351 | 3841 |
<I/σ(I)> | 13.1 | 3 |
Completeness [%] | 99.8 | 99.13 |
Redundancy | 7.1 | 7 |
CC(1/2) | 0.997 | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 10% PEG3350 in 100 mM Tris-HCl pH 7.5 |