6TRO
Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV
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 | 2017-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 220.040, 220.040, 96.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.910 - 3.000 |
R-factor | 0.2162 |
Rwork | 0.213 |
R-free | 0.27020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3huj 6avf 5e00 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.203 |
Data reduction software | xia2 (0.5.744) |
Data scaling software | xia2 (0.5.744) |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.910 | 67.930 | 3.050 |
High resolution limit [Å] | 3.000 | 8.140 | 3.000 |
Rmeas | 0.102 | 0.034 | 1.939 |
Rpim | 0.037 | 0.013 | 0.687 |
Total number of observations | 183925 | 8722 | 9402 |
Number of reflections | 27736 | 1455 | 1382 |
<I/σ(I)> | 13.5 | 38.9 | 1.2 |
Completeness [%] | 98.6 | 92.9 | 99.6 |
Redundancy | 6.6 | 6 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1 M succinic acid, 0.1 M HEPES pH 7.0, 1 % w/v PEG MME 2k |