6L9L
1D4 TCR recognition of H2-Ld a1a2 A5 Peptide Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2015-12-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | I 4 |
| Unit cell lengths | 148.044, 148.044, 169.449 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.362 - 2.399 |
| R-factor | 0.2037 |
| Rwork | 0.203 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tjh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.803 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.362 | 2.500 |
| High resolution limit [Å] | 2.399 | 2.400 |
| Rmerge | 0.086 | 0.666 |
| Number of reflections | 67669 | 4210 |
| <I/σ(I)> | 18 | 2.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 1.0 M lithium sulfate, 0.1 M imidazole malate pH 6.5 and 2% w/v PEG 8000 |
