3UTP
1E6 TCR specific for HLA-A*0201-ALWGPDPAAA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9778 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 192.030, 43.260, 124.710 |
Unit cell angles | 90.00, 101.25, 90.00 |
Refinement procedure
Resolution | 30.578 - 2.574 |
R-factor | 0.2327 |
Rwork | 0.230 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 0.905 |
Data reduction software | xia2 |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.578 | 30.578 | 2.640 |
High resolution limit [Å] | 2.574 | 11.510 | 2.574 |
Rmerge | 0.035 | 0.782 | |
Total number of observations | 1281 | 8514 | |
Number of reflections | 32433 | ||
<I/σ(I)> | 9.3 | 16.2 | 0.9 |
Completeness [%] | 99.6 | 94.2 | 99.8 |
Redundancy | 3.7 | 3.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 20% w/v PEG3350, 0.2 M sodium iodide, 0.1 M Bis-tris propane, pH 7.5, VAPOR DIFFUSION, temperature 291K |