4WWK
Crystal structure of human TCR Alpha Chain-TRAV12-3, Beta Chain-TRBV6-5, Antigen-presenting molecule CD1d, and Beta-2-microglobulin
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 | 2013-08-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.380, 76.070, 255.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.610 - 3.100 |
R-factor | 0.1978 |
Rwork | 0.195 |
R-free | 0.25580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2po6 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.370 | 3.270 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 19363 | |
<I/σ(I)> | 7.5 | 2.4 |
Completeness [%] | 94.2 | 92.6 |
Redundancy | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 18% PEG8000 0.1M CHES 9.5 |