3VWJ
Ternary crystal structure of the human NKT TCR-CD1d-C20:2 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 145.930, 176.910, 82.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.965 - 3.093 |
R-factor | 0.2312 |
Rwork | 0.228 |
R-free | 0.29220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3huj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.714 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 3.270 |
High resolution limit [Å] | 3.093 | 9.800 | 3.100 |
Number of reflections | 19938 | ||
<I/σ(I)> | 4.8 | 6.8 | 2.1 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 12 | 10.7 | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 295 | 8% PEG 10000, 0.2M magnesium chloride, 0.1M Tris, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |