4Y4H
Crystal structure of the mCD1d/GCK152/iNKTCR ternary complex
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 | 2011-03-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.417, 150.379, 102.490 |
| Unit cell angles | 90.00, 96.38, 90.00 |
Refinement procedure
| Resolution | 38.170 - 3.100 |
| R-factor | 0.2438 |
| Rwork | 0.242 |
| R-free | 0.28680 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.249 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0104) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 8.390 | 3.100 |
| Rmerge | 0.113 | 0.049 | 0.599 |
| Total number of observations | 163518 | ||
| Number of reflections | 42694 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.4 | 95.2 | 100 |
| Redundancy | 3.8 | 3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295.5 | 16% PEG 4000, 0.2M di-ammonium hydrogen citrate |
