3KXF
Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Collection date | 2009-03-30 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.690, 207.077, 123.512 |
Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
Resolution | 80.000 - 3.100 |
R-factor | 0.217 |
Rwork | 0.213 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.022 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 3.200 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.096 | 0.341 |
Number of reflections | 71533 | |
<I/σ(I)> | 4.1 | |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.7 | 298 | 0.1M cacodlyate, 0.2M potassium iodide, 18% polyethylene glycol 3350, pH 6.7, vapor diffusion, temperature 298K |