6CXF
Structure of alpha-GSA[26,P5p] bound by CD1d and in complex with the Va14Vb8.2 TCR
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 | 2016-11-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 78.933, 191.781, 151.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.500 - 2.500 |
R-factor | 0.1989 |
Rwork | 0.197 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3quz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.321 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.089 | 0.047 | 0.472 |
Rmeas | 0.101 | 0.053 | 0.538 |
Rpim | 0.046 | 0.025 | 0.252 |
Number of reflections | 39875 | 4092 | 3925 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 98.7 | 96.3 | 98.1 |
Redundancy | 4.4 | 4.3 | 4 |
CC(1/2) | 0.997 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.1 | 295 | 16% PEG 3350, 0.06M Citric acid, 0.04M BIS-TRIS propane pH 4.1 |