5HHO
Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-G4E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 233.657, 49.033, 113.040 |
| Unit cell angles | 90.00, 115.95, 90.00 |
Refinement procedure
| Resolution | 40.056 - 2.950 |
| R-factor | 0.2381 |
| Rwork | 0.236 |
| R-free | 0.27870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oga |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.581 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.690 | 48.690 | 3.110 |
| High resolution limit [Å] | 2.950 | 9.330 | 2.950 |
| Rmerge | 0.183 | 0.040 | 1.142 |
| Rmeas | 0.197 | ||
| Rpim | 0.072 | 0.023 | 0.017 |
| Total number of observations | 186480 | 5645 | 27394 |
| Number of reflections | 24843 | ||
| <I/σ(I)> | 12.1 | 39.2 | 2.2 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 7.5 | 6.6 | 7.6 |
| CC(1/2) | 0.994 | 0.998 | 0.829 |
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 |
