7YM9
Crystal structure of a PET hydrolase from Cryptosporangium aurantiacum
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 | 2020-05-25 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 82.309, 82.449, 87.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.230 - 1.340 |
| R-factor | 0.1726 |
| Rwork | 0.172 |
| R-free | 0.18270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lul |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.008 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.360 |
| High resolution limit [Å] | 1.340 | 3.640 | 1.340 |
| Rmerge | 0.082 | 0.053 | 0.512 |
| Rmeas | 0.086 | 0.056 | 0.538 |
| Rpim | 0.025 | 0.017 | 0.164 |
| Total number of observations | 1647419 | ||
| Number of reflections | 133383 | 6956 | 6605 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 99.9 | 98.5 | 100 |
| Redundancy | 12.4 | 10.8 | 10.4 |
| CC(1/2) | 0.997 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% (w/v) PEG3350, 0.1 M Sodium malonate pH4.0 |
