8WUL
Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03845 |
Spacegroup name | P 1 |
Unit cell lengths | 87.752, 96.331, 123.121 |
Unit cell angles | 94.56, 90.63, 93.20 |
Refinement procedure
Resolution | 29.670 - 2.360 |
Rwork | 0.190 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.493 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.400 |
High resolution limit [Å] | 2.360 | 2.360 |
Number of reflections | 161796 | 7989 |
<I/σ(I)> | 27.1 | 1.7 |
Completeness [%] | 98.1 | |
Redundancy | 3.4 | |
CC(1/2) | 0.990 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 20% (w/v) PEG 3350, 0.2M ammonium citrate tribasic at pH 7.0 |