6XQQ
Structure of human D462-E4 TCR
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 | 2016-04-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 115.222, 115.222, 183.992 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.990 - 2.680 |
R-factor | 0.1951 |
Rwork | 0.194 |
R-free | 0.22330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.002 |
RMSD bond angle | 0.462 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.990 | 2.780 |
High resolution limit [Å] | 2.680 | 2.680 |
Number of reflections | 35384 | 3444 |
<I/σ(I)> | 26.62 | |
Completeness [%] | 99.6 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.799 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 16-24% PEG3350, 100 mM Bis Tris Propane, 200 mM Sodium Fluoride |