4X6D
CD1a ternary complex with endogenous lipids 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 | 2013-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.133, 126.322, 226.852 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.000 - 2.980 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Chain A and B from 1ONQ and chain G+H from 4PJ5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.105 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.480 | 3.070 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Number of reflections | 53826 | |
| <I/σ(I)> | 16.4 | 2.5 |
| Completeness [%] | 99.7 | 96.5 |
| Redundancy | 17.5 | 17.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium citrate, bis-tris propane, PEG 3350 |
