3ARG
Ternary crystal structure of the mouse NKT TCR-CD1d-alpha-glucosylceramide(C20:2)
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 | 2009-11-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95367 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.165, 85.774, 237.805 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.560 - 3.000 |
R-factor | 0.23563 |
Rwork | 0.232 |
R-free | 0.29958 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3he6 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.992 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.160 |
High resolution limit [Å] | 3.000 | 9.490 | 3.000 |
Rmerge | 0.218 | 0.090 | 1.083 |
Number of reflections | 23592 | ||
<I/σ(I)> | 9.4 | 28.3 | 2 |
Completeness [%] | 94.5 | 89.9 | 95.9 |
Redundancy | 10.4 | 9.5 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 20% PEG 400, 0.1M Ammonium acetate, 0.1M Bis Tris, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |