6MJA
Crystal structure of the mCD1d/xxo (JJ294) /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 PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.037, 191.486, 151.131 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.680 - 2.350 |
| R-factor | 0.1984 |
| Rwork | 0.196 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4irs |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.777 |
| Data reduction software | HKL-3000 |
| 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 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.100 | 0.089 | 0.561 |
| Rmeas | 0.109 | 0.097 | 0.626 |
| Rpim | 0.042 | 0.039 | 0.272 |
| Total number of observations | 307155 | ||
| Number of reflections | 48047 | 2555 | 2350 |
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 99.6 | 98.6 | 99.2 |
| Redundancy | 6.4 | 6.3 | 5.1 |
| CC(1/2) | 0.985 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 m ammonium tartrate dibasic, 20% PEG 4000 |
