6EQF
Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis in spacegroup P212121
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 21 21 21 |
Unit cell lengths | 51.349, 64.130, 68.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.732 - 1.700 |
R-factor | 0.1505 |
Rwork | 0.149 |
R-free | 0.18550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eqd |
RMSD bond length | 0.007 |
RMSD bond angle | 0.847 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.240 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.107 | 0.323 |
Rmeas | 0.118 | 0.356 |
Rpim | 0.049 | 0.147 |
Number of reflections | 25470 | 3652 |
<I/σ(I)> | 9.8 | 4.7 |
Completeness [%] | 98.8 | 100 |
Redundancy | 5.7 | 5.7 |
CC(1/2) | 0.991 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 290 | 0.1 NH4Cl, 0.1 M MES, pH 6.0 20% PEG 6000 |