6EQG
Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis in spacegroup P21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.149, 46.381, 119.581 |
Unit cell angles | 90.00, 93.19, 90.00 |
Refinement procedure
Resolution | 46.456 - 1.799 |
R-factor | 0.153 |
Rwork | 0.151 |
R-free | 0.18380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eqd |
RMSD bond length | 0.003 |
RMSD bond angle | 0.598 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.460 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.102 | 0.537 |
Rmeas | 0.121 | 0.639 |
Rpim | 0.065 | 0.342 |
Number of reflections | 68988 | 9836 |
<I/σ(I)> | 8.7 | 2.3 |
Completeness [%] | 97.7 | 95.9 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.995 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | 0.2 M LiSO4, 0.1 M Bis-Tris, pH 5.5 25% PEG3350 |