8VD2
Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.121, 109.463, 109.994 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 2.900 |
| R-factor | 0.2231 |
| Rwork | 0.221 |
| R-free | 0.25940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.447 |
| Data reduction software | autoXDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.151 | 0.597 |
| Rmeas | 0.171 | 0.718 |
| Rpim | 0.096 | 0.400 |
| Number of reflections | 20755 | 3281 |
| <I/σ(I)> | 7.8 | 2.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.990 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 0.2 M potassium dihydrogen phosphate (KH2PO4), 15% w/v PEG 20,000 with seeding and additive 30 mM MnCl2 |
