5C07
1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 43.700, 100.470, 122.100 |
Unit cell angles | 96.95, 98.11, 96.61 |
Refinement procedure
Resolution | 49.410 - 2.110 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3UTP and 3UTQ |
RMSD bond length | 0.017 |
RMSD bond angle | 1.917 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.413 | 49.413 | 2.160 |
High resolution limit [Å] | 2.108 | 9.430 | 2.110 |
Rmerge | 0.027 | 0.358 | |
Rmeas | 0.069 | ||
Rpim | 0.046 | 0.022 | 0.349 |
Total number of observations | 246727 | 2724 | 18062 |
Number of reflections | 113252 | ||
<I/σ(I)> | 11.7 | 29.5 | 2.4 |
Completeness [%] | 97.0 | 96.1 | 95.9 |
Redundancy | 2.2 | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M sodium cholride, 0.1M HEPES pH7, 20% PEG 3350 |