9GU8
NCS-1 bound to a FDA ligand 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-27 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 44.608, 102.912, 76.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.460 - 1.670 |
| R-factor | 0.2069 |
| Rwork | 0.205 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.637 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1-5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.460 | 1.824 |
| High resolution limit [Å] | 1.615 | 1.615 |
| Number of reflections | 187441 | 6794 |
| <I/σ(I)> | 17.1 | |
| Completeness [%] | 89.3 | |
| Redundancy | 17.1 | |
| CC(1/2) | 0.999 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3000, 100 mM HEPES pH 7.5, 200 mM sodium acetate |
