9NU7
Crystal structure of NP202 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 | 2022-09-15 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.291, 89.594, 104.271 |
| Unit cell angles | 90.00, 96.17, 90.00 |
Refinement procedure
| Resolution | 51.830 - 3.600 |
| R-factor | 0.245 |
| Rwork | 0.242 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.522 |
| 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] | 52.000 | 3.680 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.282 | 0.997 |
| Rmeas | 0.319 | 1.160 |
| Rpim | 0.145 | 0.580 |
| Number of reflections | 18351 | 1168 |
| <I/σ(I)> | 6.2 | 1.1 |
| Completeness [%] | 96.7 | 92 |
| Redundancy | 4.2 | 3.6 |
| CC(1/2) | 0.970 | 0.369 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M Tris hydrochloride, 8% (w/v) PEG 8,000 |
