6CWE
Structure of alpha-GSA[8,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.180, 190.168, 150.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.200 |
| R-factor | 0.2057 |
| Rwork | 0.204 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3quz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.083 | 0.042 | 0.644 |
| Rmeas | 0.094 | 0.047 | 0.733 |
| Rpim | 0.043 | 0.021 | 0.341 |
| Total number of observations | 249083 | ||
| Number of reflections | 57216 | 5749 | 5674 |
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 99.4 | 95.6 | 100 |
| Redundancy | 4.4 | 4.4 | 4.3 |
| CC(1/2) | 0.998 | 0.696 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG 4000, 0.2M di-Ammonium tartrate |
