9QVA
Polyester Hydrolase Leipzig 7 (PHL7) variant R2M2-P155G-A186S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.610, 74.056, 63.503 |
| Unit cell angles | 90.00, 97.57, 90.00 |
Refinement procedure
| Resolution | 62.950 - 1.590 |
| R-factor | 0.2032 |
| Rwork | 0.201 |
| R-free | 0.24610 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.482 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.950 | 1.750 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Number of reflections | 72371 | 1847 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 90.6 | |
| Redundancy | 7 | |
| CC(1/2) | 0.994 | 0.587 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M sodium citrate pH 4.0, 10% (w/v) PEG 6000, 3% (v/v) 1,6-hexanediol |
