6MIV
Crystal structure of the mCD1d/xxq (JJ300)/iNKTCR ternary complex
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 | 2017-11-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.976, 191.441, 151.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.540 - 2.050 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4irs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.088 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
| Rmerge | 0.109 | 0.082 | 0.614 |
| Rmeas | 0.119 | 0.090 | 0.691 |
| Rpim | 0.048 | 0.036 | 0.309 |
| Total number of observations | 426228 | ||
| Number of reflections | 71307 | 7486 | 6723 |
| <I/σ(I)> | 5.8 | ||
| Completeness [%] | 98.0 | 98.5 | 93.5 |
| Redundancy | 6 | 6.1 | 4.6 |
| CC(1/2) | 0.991 | 0.736 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 0.1 m sodium malonate pH 4.0, 12% PEG 3350 |
