8RYO
Structure of S2-198 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide
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 | 2021-05-14 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.133, 48.854, 124.210 |
Unit cell angles | 90.00, 92.84, 90.00 |
Refinement procedure
Resolution | 68.820 - 2.050 |
R-factor | 0.2207 |
Rwork | 0.219 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.183 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.820 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.107 | 1.131 |
Rmeas | 0.115 | 1.222 |
Rpim | 0.043 | 0.460 |
Number of reflections | 60565 | 2951 |
<I/σ(I)> | 12.3 | 0.9 |
Completeness [%] | 99.4 | 97.55 |
Redundancy | 6.9 | 6.9 |
CC(1/2) | 0.998 | 0.705 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM MOPS pH 6.7, 14 % w/v PEG 8000 |