9WHC
Crystal structure of human nNOS PDZ domain in complex with compound N28
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-06-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978610 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.505, 113.168, 66.196 |
| Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
| Resolution | 46.190 - 2.800 |
| R-factor | 0.2459 |
| Rwork | 0.242 |
| R-free | 0.28360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.993 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.190 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 11226 | 1705 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 95.6 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.987 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 289.15 | 0.1 M Sodium acetate; 25% PEG300 |
