7YME
Crystal structure of a PET hydrolase M9 variant 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 | 2022-06-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.019, 112.307, 112.538 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.780 - 1.500 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ym9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.750 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.084 | 0.053 | 0.829 |
| Rmeas | 0.090 | 0.058 | 0.893 |
| Rpim | 0.034 | 0.023 | 0.330 |
| Total number of observations | 606538 | ||
| Number of reflections | 84276 | 4507 | 4149 |
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 7.2 | 6.5 | 7.2 |
| CC(1/2) | 0.996 | 0.779 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% (w/v) PEG monomethyl ether 5000, 0.1 M HEPES pH7.0, 5% (v/v) Tascimate pH 7.0 |
