6MJI
Crystal structure of the mCD1d/xxs (JJ304) /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 | 79.216, 191.161, 151.095 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.610 - 2.300 |
R-factor | 0.1912 |
Rwork | 0.189 |
R-free | 0.22720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4irs |
RMSD bond length | 0.004 |
RMSD bond angle | 0.958 |
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 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.110 | 0.068 | 0.585 |
Rmeas | 0.121 | 0.074 | 0.659 |
Rpim | 0.049 | 0.029 | 0.297 |
Number of reflections | 51194 | 5372 | 5004 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 99.6 | 99.8 | 98.4 |
Redundancy | 5.8 | 6.1 | 4.7 |
CC(1/2) | 0.996 | 0.743 |
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 |