6MJJ
Crystal structure of the mCD1d/xxm (JJ290) /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 | 78.999, 191.279, 151.264 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.870 - 1.930 |
R-factor | 0.1859 |
Rwork | 0.184 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4irs |
RMSD bond length | 0.004 |
RMSD bond angle | 0.919 |
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 | 1.960 |
High resolution limit [Å] | 1.930 | 5.240 | 1.930 |
Rmerge | 0.094 | 0.055 | 0.705 |
Rmeas | 0.102 | 0.060 | 0.768 |
Rpim | 0.039 | 0.024 | 0.303 |
Number of reflections | 86000 | 4550 | 4247 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 99.9 | 99.9 | 99.9 |
Redundancy | 6.6 | 6.5 | 6.3 |
CC(1/2) | 0.991 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 m sodium malonate pH 4.0, 12% PEG 3350 |