9VZR
MG8, a PET hydrolase enzyme from the human saliva metagenome
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-04-20 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.410, 61.009, 69.647 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.830 - 1.200 |
| R-factor | 0.1336 |
| Rwork | 0.133 |
| R-free | 0.16040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.193 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.870 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.711 | |
| Rpim | 0.423 | |
| Number of reflections | 128465 | 6146 |
| <I/σ(I)> | 0.057 | 0.9 |
| Completeness [%] | 95.4 | |
| Redundancy | 3.9 | |
| CC(1/2) | 0.998 | 0.611 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 200mM Sodium chloride, 100mM Sodium acetate pH 5.0, 20% (v/v) PEG 6000 |
