9NVE
Crystal structure of NP203 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 | 2024-04-02 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.782, 66.621, 76.784 |
| Unit cell angles | 68.78, 89.27, 66.42 |
Refinement procedure
| Resolution | 49.940 - 2.100 |
| R-factor | 0.2131 |
| Rwork | 0.211 |
| R-free | 0.24550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.504 |
| 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] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.044 | 0.462 |
| Rmeas | 0.058 | 0.641 |
| Rpim | 0.039 | 0.443 |
| Number of reflections | 53182 | 2438 |
| <I/σ(I)> | 15.7 | 1.2 |
| Completeness [%] | 96.1 | 87.8 |
| Redundancy | 1.9 | 1.7 |
| CC(1/2) | 0.999 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.2 M Ammonium fluoride, 20% (w/v) PEG 3,350 |
