9W5X
Crystal structure of Namat in complex with nicotinamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.061, 104.737, 119.668 |
| Unit cell angles | 109.31, 101.55, 89.97 |
Refinement procedure
| Resolution | 38.790 - 2.400 |
| R-factor | 0.2241 |
| Rwork | 0.223 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.631 |
| Data reduction software | autoPX |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rpim | 0.098 | 0.290 |
| Number of reflections | 109502 | 8091 |
| <I/σ(I)> | 8.25 | |
| Completeness [%] | 97.6 | |
| Redundancy | 3.41 | |
| CC(1/2) | 0.974 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.5M Ammonium sulfate, 0.1M BIS-TRIS propane PH 7.0 |
