6MJ4
Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW)
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 | 78.948, 190.723, 151.145 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.100 - 2.000 |
R-factor | 0.1861 |
Rwork | 0.185 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4irs |
RMSD bond length | 0.004 |
RMSD bond angle | 0.936 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.088 | 0.042 | 0.663 |
Rmeas | 0.095 | 0.045 | 0.731 |
Rpim | 0.037 | 0.018 | 0.301 |
Number of reflections | 77265 | 8009 | 7618 |
<I/σ(I)> | 5.5 | ||
Completeness [%] | 99.6 | 99.2 | 99.4 |
Redundancy | 6.5 | 6.4 | 5.6 |
CC(1/2) | 0.998 | 0.759 |
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 |