9Z0A
Crystal Structure of the Polycaprolactam (Nylon6) and Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl12 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 | 2025-04-01 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.541838 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 77.593, 79.428, 108.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.370 - 1.900 |
| R-factor | 0.15327 |
| Rwork | 0.151 |
| R-free | 0.19585 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.293 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.640 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.637 |
| Rmeas | 0.069 | 0.737 |
| Rpim | 0.028 | 0.364 |
| Total number of observations | 314936 | 14308 |
| Number of reflections | 53622 | 3584 |
| <I/σ(I)> | 13.3 | 2.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.9 | 4 |
| CC(1/2) | 0.989 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 0.09 M HEPES, pH 6.8, 27% w/v PEG3350, 5% v/v cholin acetate (HR Ionic Liquid 5), protein:cocktail ratio of 2:1 |
