7JWJ
Crystal Structure of B17-C1 TCR-H2Db
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-16 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.769, 224.636, 172.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.650 - 3.251 |
| R-factor | 0.2771 |
| Rwork | 0.276 |
| R-free | 0.30620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5swz |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.610 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (20-MAY-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.650 | 3.370 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Number of reflections | 19231 | 1862 |
| <I/σ(I)> | 13.87 | 1.67 |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 16% PEG3350, 0.2 M potassium thiocyanide, 4% ethylene glycol, 0.1 M Bis-tris propane |
