6WL3
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 | 109.430, 109.430, 316.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.940 - 3.450 |
| R-factor | 0.2214 |
| Rwork | 0.220 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pku 1nfd |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.565 |
| 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 | 3.520 |
| High resolution limit [Å] | 3.450 | 9.020 | 3.450 |
| Rmerge | 0.216 | 0.045 | 1.143 |
| Rmeas | 0.228 | 0.048 | 1.208 |
| Rpim | 0.070 | 0.016 | 0.383 |
| Total number of observations | 262230 | ||
| Number of reflections | 25989 | 1595 | 1419 |
| <I/σ(I)> | 3 | ||
| Completeness [%] | 98.6 | 96.2 | 99.6 |
| Redundancy | 10.1 | 8.9 | 9.6 |
| CC(1/2) | 1.000 | 0.687 |
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 |
