6MIY
Crystal structure of the mCD1d/xxa (JJ239)/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 1 2 1 |
Unit cell lengths | 78.865, 192.477, 150.418 |
Unit cell angles | 90.00, 90.79, 90.00 |
Refinement procedure
Resolution | 47.420 - 2.750 |
R-factor | 0.1944 |
Rwork | 0.192 |
R-free | 0.24730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4irs |
RMSD bond length | 0.003 |
RMSD bond angle | 0.791 |
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 | 2.800 |
High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
Rmerge | 0.079 | 0.064 | 0.384 |
Rmeas | 0.096 | 0.077 | 0.470 |
Rpim | 0.053 | 0.042 | 0.267 |
Number of reflections | 56419 | 2882 | 2775 |
<I/σ(I)> | 6.6 | ||
Completeness [%] | 97.0 | 97.1 | 95.5 |
Redundancy | 3 | 3.2 | 2.7 |
CC(1/2) | 0.986 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 m ammonium tartrate dibasic, 20% PEG 4000 |