7S8J
PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.549, 73.334, 110.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.210 - 1.920 |
| R-factor | 0.1695 |
| Rwork | 0.168 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7s8i |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.439 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.210 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.087 | 0.695 |
| Number of reflections | 37831 | 2424 |
| <I/σ(I)> | 11.4 | 2.3 |
| Completeness [%] | 99.6 | 95.3 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 290 | 20-25% PEG4000, 0.2M AMMONIUM, SULFATE, 0.1M SODIUM CITRATE, PH 5.6 |
