7DZV
Cyrstal structure of PETase E186A mutant 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 | 2020-12-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.988, 54.627, 108.887 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.250 - 1.600 |
| R-factor | 0.1341 |
| Rwork | 0.133 |
| R-free | 0.15710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7dzt |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.006 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.096 | 0.057 | 0.365 |
| Rmeas | 0.100 | 0.060 | 0.379 |
| Rpim | 0.028 | 0.019 | 0.103 |
| Total number of observations | 505354 | ||
| Number of reflections | 40798 | 2235 | 1978 |
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 99.4 | 99.2 | 97.5 |
| Redundancy | 12.4 | 10.7 | 12.9 |
| CC(1/2) | 0.998 | 0.985 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 298 | Sodium citrate tribasic, Tris, NaCl |
