7DZT
Cyrstal structure of PETase from Rhizobacter gummiphilus
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 | 2020-05-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.267, 75.512, 200.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.900 - 2.350 |
| R-factor | 0.2027 |
| Rwork | 0.200 |
| R-free | 0.26480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xjh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.548 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.114 | 0.077 | 0.289 |
| Rmeas | 0.124 | 0.086 | 0.314 |
| Rpim | 0.049 | 0.039 | 0.121 |
| Total number of observations | 144474 | ||
| Number of reflections | 22066 | 1063 | 1078 |
| <I/σ(I)> | 19.2 | ||
| Completeness [%] | 99.2 | 87.6 | 100 |
| Redundancy | 6.5 | 5.1 | 6.7 |
| CC(1/2) | 0.989 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5 | 298 | PEG 3350, Bis-tris |
