6AMU
Crystal structure of DMF5 TCR bound to HLA-A2 presenting synthetic peptide MMWDRGLGMM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 232.078, 50.326, 84.361 |
Unit cell angles | 90.00, 99.52, 90.00 |
Refinement procedure
Resolution | 19.940 - 2.151 |
R-factor | 0.1817 |
Rwork | 0.180 |
R-free | 0.22620 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.597 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.230 |
High resolution limit [Å] | 2.150 | 4.610 | 2.150 |
Rmerge | 0.096 | 0.040 | 0.454 |
Rmeas | 0.119 | 0.049 | 0.594 |
Rpim | 0.069 | 0.028 | 0.378 |
Total number of observations | 141798 | ||
Number of reflections | 52057 | 5424 | 5055 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 98.8 | 99.7 | 96.4 |
Redundancy | 2.7 | 2.8 | 2.2 |
CC(1/2) | 0.996 | 0.688 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 298 | 18% PEG3350, 0.25 M magnesium chloride, 0.1 M HEPES |