9SOK
Structure of three-domain single chain TCR-581 in complex with Peptide-HLA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.764, 83.703, 115.373 |
| Unit cell angles | 90.00, 99.60, 90.00 |
Refinement procedure
| Resolution | 67.420 - 2.500 |
| R-factor | 0.21047 |
| Rwork | 0.208 |
| R-free | 0.26246 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.420 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmeas | 0.043 | 0.242 |
| Number of reflections | 37084 | 1815 |
| <I/σ(I)> | 41.2 | 5.1 |
| Completeness [%] | 100.0 | 98.4 |
| Redundancy | 7.2 | 5.9 |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8.4, 0.2 M lithium sulphate, 11.0 % PEG 20,000, 4.0 % 1-4-dioxane, 0.006 M calcium chloride hemi-pentahydrate, 4.0 % ethylene glycol |
