7L1D
Crystal structure of human 21LT2-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide
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 | 2019-11-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.282, 72.282, 475.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.510 - 3.110 |
R-factor | 0.2021 |
Rwork | 0.198 |
R-free | 0.24970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xpg 3qh3 4prh |
RMSD bond length | 0.002 |
RMSD bond angle | 0.494 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.150 |
High resolution limit [Å] | 3.110 | 3.110 |
Rmerge | 0.145 | 1.365 |
Rmeas | 0.148 | 1.410 |
Rpim | 0.032 | 0.335 |
Number of reflections | 24158 | 914 |
<I/σ(I)> | 25 | |
Completeness [%] | 99.7 | 97.6 |
Redundancy | 20.2 | 14.1 |
CC(1/2) | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 10% w/v Polyethylene glycol 8,000, 200mM Magnesium acetate |