5C0A
1E6 TCR in complex with HLA-A02 carrying MVW peptide
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 | 2012-03-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 1 |
Unit cell lengths | 43.880, 100.020, 123.280 |
Unit cell angles | 96.67, 98.58, 95.80 |
Refinement procedure
Resolution | 31.236 - 2.460 |
R-factor | 0.1948 |
Rwork | 0.193 |
R-free | 0.23170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3UTP and 3UTQ |
RMSD bond length | 0.014 |
RMSD bond angle | 1.713 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.236 | 31.236 | 2.520 |
High resolution limit [Å] | 2.460 | 11.000 | 2.460 |
Rmerge | 0.080 | 0.214 | |
Rmeas | 0.102 | ||
Rpim | 0.067 | 0.047 | 0.381 |
Total number of observations | 140414 | 1620 | 9349 |
Number of reflections | 72534 | ||
<I/σ(I)> | 4.7 | 6.3 | 2.6 |
Completeness [%] | 97.7 | 93.3 | 96.2 |
Redundancy | 1.9 | 2.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M HEPES pH7.5, 15% PEG 4000, 0.2M sodium acetate |