4H1L
TCR interaction with peptide mimics of nickel offers structural insights in nickel contact allergy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 63 |
| Unit cell lengths | 186.722, 186.722, 166.702 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.826 - 3.300 |
| R-factor | 0.2643 |
| Rwork | 0.263 |
| R-free | 0.28460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.502 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7_629)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 3.300 |
| Number of reflections | 46186 |
| Completeness [%] | 91.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M Ammonium tartrate dibasic, 12% PEG 3350 , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
