8RYN
Structure of S2 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9159 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.750, 48.690, 115.300 |
Unit cell angles | 90.00, 106.39, 90.00 |
Refinement procedure
Resolution | 77.900 - 1.970 |
R-factor | 0.22166 |
Rwork | 0.220 |
R-free | 0.25052 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 1.176 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.900 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.097 | 1.220 |
Rmeas | 0.105 | 1.340 |
Rpim | 0.039 | 0.545 |
Number of reflections | 65906 | 3267 |
<I/σ(I)> | 13.3 | 1.3 |
Completeness [%] | 99.9 | 99.94 |
Redundancy | 7.1 | 6 |
CC(1/2) | 0.999 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Amino acids (0.02 M Sodium Glutamate; 0.02 M Alanine; 0.02 M Glycine; 0.02 M Lysine hydrochloride; 0.02 M Serine), 0.1 M Buffer system 1 (Imidazole; MES monohydrate) pH 6.5, 50 % Precipitant mix 2 (20% v/v Ethylene glycol; 10 % w/v PEG 8000) |