9S2V
NSP14 IN COMPLEX WITH LIGAND TDI-014925-CL-2 (compound 58)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-23 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.458, 100.962, 90.426 |
| Unit cell angles | 90.00, 108.33, 90.00 |
Refinement procedure
| Resolution | 64.120 - 2.380 |
| R-factor | 0.19435 |
| Rwork | 0.193 |
| R-free | 0.24517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.502 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.120 | 2.418 |
| High resolution limit [Å] | 2.377 | 2.377 |
| Rmerge | 0.096 | 2.333 |
| Rmeas | 0.093 | |
| Rpim | 0.050 | 0.988 |
| Number of reflections | 46172 | 2286 |
| <I/σ(I)> | 9.3 | 1.3 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 4.4 | 4.3 |
| CC(1/2) | 0.997 | 0.376 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | isopropanol and imidazole, pH 7.0 |
