6WL2
preTCRbeta-pMHC complex crystal structure
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 | 2019-08-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 108.897, 108.897, 316.173 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.430 - 3.300 |
| R-factor | 0.23 |
| Rwork | 0.228 |
| R-free | 0.26970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pku 1nfd |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.571 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 8.940 | 3.300 |
| Rmerge | 0.147 | 0.042 | 1.464 |
| Rmeas | 0.159 | 0.046 | 1.579 |
| Rpim | 0.059 | 0.018 | 0.583 |
| Total number of observations | 211094 | ||
| Number of reflections | 29673 | 1687 | 1434 |
| <I/σ(I)> | 4 | ||
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 7.1 | 6.2 | 7.2 |
| CC(1/2) | 0.996 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.100 M Bicine pH 9.0, 15% (w/v)PEG 20000 |
