7R80
Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-09-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.310, 64.814, 220.885 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.660 - 2.900 |
R-factor | 0.2354 |
Rwork | 0.233 |
R-free | 0.28710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1A1M & 1OGA |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4080) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 8.000 | 2.950 |
Rmerge | 0.186 | 0.073 | 1.536 |
Rmeas | 0.211 | 0.086 | 1.765 |
Rpim | 0.097 | 0.043 | 0.841 |
Number of reflections | 17500 | 923 | 855 |
<I/σ(I)> | 5.9 | ||
Completeness [%] | 90.2 | 84.2 | 93.3 |
Redundancy | 4.4 | 3.6 | 4 |
CC(1/2) | 0.990 | 0.375 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M Tris, pH 8.5, 21-23% PEG3350 |