9DYS
X-ray Crystallographic Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 at Room Temperature bound to tetraethylene glycol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2024-10-04 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 53.879, 96.511, 105.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.730 - 1.850 |
| R-factor | 0.1517 |
| Rwork | 0.151 |
| R-free | 0.17219 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.735 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.730 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.097 | 0.662 |
| Rmeas | 0.105 | 0.751 |
| Rpim | 0.038 | 0.340 |
| Total number of observations | 11136 | |
| Number of reflections | 47261 | 2605 |
| <I/σ(I)> | 11.9 | 2.3 |
| Completeness [%] | 99.2 | |
| Redundancy | 7.1 | 4.3 |
| CC(1/2) | 0.996 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.9 | 298 | Imidazole 0.1 M pH 6.9, Polyethylene glycol 6,000 20.0% w/v |
