4X6C
CD1a ternary complex with lysophosphatidylcholine and BK6 TCR
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 | 2014-08-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.273, 142.144, 175.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.746 - 2.800 |
| R-factor | 0.1785 |
| Rwork | 0.176 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Chain A and B from 1ONQ and chain G and H from 4PJ5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.269 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.590 | 2.880 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 55926 | |
| <I/σ(I)> | 10.8 | 2 |
| Completeness [%] | 99.8 | 97.5 |
| Redundancy | 5.8 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium citrate, bis-tris propane, PEG 3350 |
