8PJG
F11 TCR in complex with Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR
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 | 2015-07-23 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97623 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 132.610, 184.820, 50.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.310 - 1.830 |
R-factor | 0.1827 |
Rwork | 0.181 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.456 |
Data reduction software | xia2 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.310 | 1.900 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.092 | 1.635 |
Rmeas | 0.099 | 1.756 |
Rpim | 0.036 | 0.636 |
Number of reflections | 108094 | 10599 |
<I/σ(I)> | 12.76 | 1.43 |
Completeness [%] | 98.6 | 97.95 |
Redundancy | 7.4 | 7.5 |
CC(1/2) | 0.998 | 0.540 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M Sodium cacodylate pH 6.5, 15 % PEG8000, 0.2 M ammonium sulphate |