6IJ3
Crystal structure of PETase S121D, D186H mutant from Ideonella sakaiensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.427, 50.631, 41.491 |
| Unit cell angles | 90.00, 93.07, 90.00 |
Refinement procedure
| Resolution | 21.610 - 1.400 |
| R-factor | 0.19633 |
| Rwork | 0.194 |
| R-free | 0.23322 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xjh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.889 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rpim | 0.067 | 0.215 |
| Number of reflections | 46596 | 2301 |
| <I/σ(I)> | 25.99 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Tris, PEG 3000, NaCl |
