5HHM
Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-F5L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-18 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 242.876, 47.296, 185.945 |
Unit cell angles | 90.00, 115.49, 90.00 |
Refinement procedure
Resolution | 43.580 - 2.500 |
R-factor | 0.22 |
Rwork | 0.216 |
R-free | 0.28900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oga |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.6) |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.530 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.121 | 0.682 |
Number of reflections | 67001 | |
<I/σ(I)> | 7.7 | 2.1 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 50mM Tris-HCl, 70mM NaCl, 16%PEG10K, 14% glycerol |