8SGB
Crystal Structure of CD1d-lipid complexed with Beta-2-Microglobulin, TCR Alpha-Chain and TCR Beta-Chain
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 | PIXEL |
Collection date | 2021-02-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 41 |
Unit cell lengths | 136.785, 136.785, 69.797 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.361 - 2.800 |
R-factor | 0.209745531039 |
Rwork | 0.208 |
R-free | 0.24942 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.817 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.850 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.229 | 0.862 |
Rmeas | 0.238 | |
Rpim | 0.064 | |
Number of reflections | 443095 | 56686 |
<I/σ(I)> | 7 | 2.3 |
Completeness [%] | 100.0 | |
Redundancy | 13.8 | |
CC(1/2) | 0.983 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, sodium citrate, citrate-bis-Tris pH7 |