6CW6
Structure of alpha-GC[8,18] bound by CD1d and in complex with the Va14Vb8.2 TCR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.641, 190.354, 150.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.320 - 2.850 |
| R-factor | 0.2102 |
| Rwork | 0.208 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q7y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.276 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.850 | 7.720 | 2.850 |
| Rmerge | 0.139 | 0.055 | 0.559 |
| Rmeas | 0.159 | 0.063 | 0.638 |
| Rpim | 0.075 | 0.031 | 0.301 |
| Total number of observations | 121714 | ||
| Number of reflections | 26851 | 1436 | 1319 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 99.8 | 97.9 | 100 |
| Redundancy | 4.5 | 4.3 | 4.6 |
| CC(1/2) | 0.994 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 8% Tacsimate pH 4.0 20% PEG 3350 |
