6CX5
Structure of alpha-GSA[8,8P] 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) | 0.9790 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.769, 190.790, 150.879 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.400 |
| R-factor | 0.2161 |
| Rwork | 0.214 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3quz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.353 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.108 | 0.067 | 0.697 |
| Rmeas | 0.121 | 0.077 | 0.784 |
| Rpim | 0.054 | 0.036 | 0.353 |
| Total number of observations | 220939 | ||
| Number of reflections | 44947 | 4711 | 4419 |
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 4.9 | 4.6 | 4.9 |
| CC(1/2) | 0.994 | 0.705 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 16% PEG 3350, 0.1M Sodium citrate tribasic pH 5.6, 2% Tacsimate pH5.0 |
