7PDW
Crystal structure of parent TCR (728) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 |
Unit cell lengths | 54.081, 95.834, 106.261 |
Unit cell angles | 109.17, 96.51, 99.70 |
Refinement procedure
Resolution | 81.936 - 1.820 |
R-factor | 0.2028 |
Rwork | 0.201 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7pbc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.471 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 98.710 | 98.710 | 1.850 |
High resolution limit [Å] | 1.820 | 9.970 | 1.820 |
Rmerge | 0.098 | 0.035 | 0.672 |
Rmeas | 0.139 | 0.049 | 0.950 |
Rpim | 0.098 | 0.035 | 0.672 |
Number of reflections | 158062 | 1041 | 7634 |
<I/σ(I)> | 4.7 | 11.1 | 0.7 |
Completeness [%] | 90.2 | 97.3 | |
Redundancy | 1.5 | 1.5 | 1.4 |
CC(1/2) | 0.986 | 0.932 | 0.464 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.02M Sodium/potassium phosphate, 0.1M Bis-Tris propane pH 6.5, 20% w/v PEG 3350 |