6P64
Alpha-beta TCR Binding to Neoantigen KQWLVWLFL Presented by HLA-A206
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 276.641, 276.641, 112.465 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.380 - 3.050 |
R-factor | 0.195257806136 |
Rwork | 0.194 |
R-free | 0.21883 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1TVH 5jzi & 5C0B |
RMSD bond length | 0.003 |
RMSD bond angle | 0.680 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.380 | 3.100 |
High resolution limit [Å] | 3.049 | 3.049 |
Rmeas | 0.180 | 1.190 |
Number of reflections | 48454 | 2388 |
<I/σ(I)> | 9.2 | 1.6 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 5.3 | 5.2 |
CC(1/2) | 0.990 | 0.538 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295.5 | 8 mg/mL protein, 12.5% PEG3350, 0.1 M MOPS, pH 7.0, 0.25 M lithium nitrate |