5WKI
Crystal structure of PG90 TCR-CD1b-PG complex
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 | 2016-03-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9753 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.010, 82.970, 90.160 |
| Unit cell angles | 90.00, 94.88, 90.00 |
Refinement procedure
| Resolution | 75.730 - 2.750 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.070 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.730 | 2.880 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rpim | 0.709 | |
| Number of reflections | 29184 | |
| <I/σ(I)> | 5.3 | 1.6 |
| Completeness [%] | 99.8 | 97.8 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 12% PEG8K, 0.2M Zinc Acetate, 0.1M MES pH 6.2 |
