6MNM
6256 TCR bound to I-Ab Padi4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 254.351, 73.771, 63.142 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 28.868 - 3.100 |
| R-factor | 0.2226 |
| Rwork | 0.220 |
| R-free | 0.26450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6mkd |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.698 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.060 | 3.310 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.108 | 0.313 |
| Rmeas | 0.117 | 0.339 |
| Rpim | 0.045 | 0.129 |
| Number of reflections | 21458 | 3884 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 6.9 |
| CC(1/2) | 0.997 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 14% PEG 4000, 100mM NaCacodylate, 100 mM NaCitrate |
