9NW2
Crystal structure of NP204 TCR in complex with NP366-H-2Db
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.088, 146.423, 153.977 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.670 - 4.440 |
| R-factor | 0.2956 |
| Rwork | 0.294 |
| R-free | 0.32800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.426 |
| 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] | 44.000 | 4.530 |
| High resolution limit [Å] | 4.440 | 4.450 |
| Rmerge | 0.169 | 1.117 |
| Rmeas | 0.186 | |
| Rpim | 0.076 | 0.583 |
| Number of reflections | 13111 | 857 |
| <I/σ(I)> | 9.2 | 0.89 |
| Completeness [%] | 99.4 | 96.5 |
| Redundancy | 5.7 | 4.2 |
| CC(1/2) | 0.967 | 0.571 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1% (w/v) Tryptone, 0.05 M HEPES sodium pH 7.0, 12% (w/v) PEG 3,350 |
