9Z11
Crystal Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 in Complex with Butyrate at Room Temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2025-09-23 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 53.881, 96.478, 105.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.410 - 2.000 |
| R-factor | 0.17046 |
| Rwork | 0.168 |
| R-free | 0.21688 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.338 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0431) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.410 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.109 | 0.555 |
| Rmeas | 0.119 | 0.604 |
| Rpim | 0.047 | 0.234 |
| Total number of observations | 14808 | |
| Number of reflections | 36372 | 2307 |
| <I/σ(I)> | 12.4 | 3.8 |
| Completeness [%] | 96.9 | |
| Redundancy | 6.4 | 6.4 |
| CC(1/2) | 0.968 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.4 | 291 | Imidazole 0.1 M pH 6.9, polyethylene glycol 6,000 20.0% w/v |
