6BGA
2B4 I-Ek TCR-MHC complex with affinity-enhancing Velcro peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 79.107, 58.851, 224.619 |
Unit cell angles | 90.00, 91.71, 90.00 |
Refinement procedure
Resolution | 47.210 - 2.307 |
R-factor | 0.1946 |
Rwork | 0.192 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p2o |
RMSD bond length | 0.002 |
RMSD bond angle | 0.530 |
Data reduction software | XDS (January 10, 2014) |
Data scaling software | Aimless (0.1.26) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.390 |
High resolution limit [Å] | 2.307 | 2.307 |
Rmerge | 0.142 | 1.043 |
Rmeas | 0.166 | 1.223 |
Rpim | 0.085 | 0.631 |
Number of reflections | 44671 | 4264 |
<I/σ(I)> | 8.52 | 1.19 |
Completeness [%] | 97.2 | 93.69 |
Redundancy | 3.6 | 3.56 |
CC(1/2) | 0.992 | 0.481 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 18-20% PEG 3350, 20 mM Na/K phosphate |