7VWN
The structure of an engineered PET hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-07-07 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 115.588, 50.536, 41.370 |
Unit cell angles | 90.00, 92.46, 90.00 |
Refinement procedure
Resolution | 32.950 - 1.450 |
R-factor | 0.1559 |
Rwork | 0.155 |
R-free | 0.17880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eqe |
RMSD bond length | 0.014 |
RMSD bond angle | 1.392 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.063 | 0.380 |
Number of reflections | 42326 | 3822 |
<I/σ(I)> | 23.3 | 2.8 |
Completeness [%] | 98.2 | 91 |
Redundancy | 6.7 | 6 |
CC(1/2) | 0.990 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 1.8 M (NH4)2SO4, 0.1 M NaCl and 0.1 M MES pH6.0 |