6MKR
5287 TCR bound to IAb Padi4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-10 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 257.022, 73.761, 65.207 |
| Unit cell angles | 90.00, 90.56, 90.00 |
Refinement procedure
| Resolution | 65.204 - 3.355 |
| R-factor | 0.2297 |
| Rwork | 0.228 |
| R-free | 0.26870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p23 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.742 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 128.500 | 3.540 |
| High resolution limit [Å] | 3.350 | 3.350 |
| Rmerge | 0.161 | 0.528 |
| Rmeas | 0.188 | 0.614 |
| Rpim | 0.098 | 0.313 |
| Number of reflections | 17652 | 2542 |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 3.6 | 3.8 |
| CC(1/2) | 0.987 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 14% PEG 4000, 100mM NaCacodylate, 100 mM NaCitrate |
