9NV6
Crystal structure of NP101 TCR in complex with NP366-H-2Db
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-23 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.103, 53.588, 101.494 |
| Unit cell angles | 79.28, 88.37, 65.64 |
Refinement procedure
| Resolution | 47.910 - 2.180 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.596 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.200 |
| Rmerge | 0.055 | 0.651 |
| Rmeas | 0.071 | 0.850 |
| Rpim | 0.045 | 0.541 |
| Number of reflections | 47985 | 2413 |
| <I/σ(I)> | 23.8 | 1.6 |
| Completeness [%] | 97.4 | 96.4 |
| Redundancy | 2.3 | 2.2 |
| CC(1/2) | 0.988 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.2 M Ammonium iodide, 20% (w/v) PEG 3,350 |
