3FFC
Crystal Structure of CF34 TCR in complex with HLA-B8/FLR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 111.564, 171.807, 272.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.800 |
R-factor | 0.2231 |
Rwork | 0.221 |
R-free | 0.26779 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mi5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.245 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 72.739 | 72.740 | 2.850 |
High resolution limit [Å] | 2.700 | 8.540 | 2.700 |
Rmerge | 0.034 | 0.013 | 0.013 |
Total number of observations | 14276 | 77950 | |
Number of reflections | 72044 | ||
<I/σ(I)> | 1.889 | 3.2 | 0.6 |
Completeness [%] | 99.9 | 97.9 | 100 |
Redundancy | 7.3 | 6 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 11% PEG 20000, 0.2M LiSO4, 0.1M Tris, 6mM CdCl, 4% ethylene glycol, 4% dioxane, pH 8.4, vapor diffusion, hanging drop, temperature 293K |