9QWJ
Crystal structure of S2c TCR in complex with CD1c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-29 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.373, 122.068, 108.696 |
| Unit cell angles | 90.00, 110.03, 90.00 |
Refinement procedure
| Resolution | 67.030 - 2.040 |
| R-factor | 0.20209 |
| Rwork | 0.200 |
| R-free | 0.23503 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.779 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.430 | 2.300 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.135 | 1.205 |
| Rmeas | 0.145 | 1.294 |
| Rpim | 0.051 | 0.468 |
| Number of reflections | 87692 | 4386 |
| <I/σ(I)> | 10.6 | 1.7 |
| Completeness [%] | 93.2 | 61.9 |
| Redundancy | 7.9 | 7.4 |
| CC(1/2) | 0.998 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium cacodylate trihydrate pH 6.4, 0.2 M Calcium chloride dihydrate, 16 % (w/v) PEG 3350 and 3 % (w/v) 1,6-Hexanediol |
