5M01
Crystal structure of murine P14 TCR/ H-2Db complex with PA, modified gp33 peptide from LCMV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.972 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 255.926, 46.542, 89.398 |
| Unit cell angles | 90.00, 94.34, 90.00 |
Refinement procedure
| Resolution | 127.600 - 1.950 |
| R-factor | 0.19736 |
| Rwork | 0.196 |
| R-free | 0.22868 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s7u |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.686 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 127.600 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.048 | 0.603 |
| Number of reflections | 76281 | |
| <I/σ(I)> | 13.2 | 1.8 |
| Completeness [%] | 98.8 | 96.1 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 280 | 19% PEG 6000, 0.1M Tris HCl pH 8.0 |
