4MNQ
TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions
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 | 2012-06-30 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.220, 48.490, 118.070 |
Unit cell angles | 90.00, 107.86, 90.00 |
Refinement procedure
Resolution | 42.150 - 2.742 |
R-factor | 0.21767 |
Rwork | 0.214 |
R-free | 0.28438 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.571 |
Data scaling software | Aimless (0.1.16) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.150 | 42.150 | 2.810 |
High resolution limit [Å] | 2.740 | 12.260 | 2.740 |
Rmerge | 0.121 | 0.039 | 0.909 |
Number of reflections | 26577 | ||
<I/σ(I)> | 8.3 | 19 | 1.8 |
Completeness [%] | 82.0 | 66.5 | 85.6 |
Redundancy | 1.6 | 1.4 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | TRIS 0.02M, 20% PEG 4000, 0.01M NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |