6EQH
Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis in spacegroup C2221
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 | C 2 2 21 |
Unit cell lengths | 52.702, 234.134, 165.123 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.676 - 1.580 |
R-factor | 0.1699 |
Rwork | 0.169 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eqd |
RMSD bond length | 0.007 |
RMSD bond angle | 0.826 |
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] | 49.810 | 1.670 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.049 | 0.742 |
Rmeas | 0.053 | 0.807 |
Rpim | 0.021 | 0.314 |
Number of reflections | 139895 | 20255 |
<I/σ(I)> | 18.2 | 2.5 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.6 | 6.5 |
CC(1/2) | 0.999 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 1.6M MgSO4, 0.1 M MES, pH 6.5 |