6CX7
Structure of alpha-GSA[12,6P] 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 | 79.809, 191.115, 152.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.600 |
R-factor | 0.2092 |
Rwork | 0.208 |
R-free | 0.23860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3quz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.338 |
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 | 50.010 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.099 | 0.076 | 0.517 |
Rmeas | 0.108 | 0.083 | 0.573 |
Rpim | 0.043 | 0.035 | 0.239 |
Number of reflections | 36299 | 1955 | 1742 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 99.5 | 98.9 | 97.7 |
Redundancy | 6 | 5.8 | 5.5 |
CC(1/2) | 0.989 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 295 | 16% PEG 3350, 0.02M Citric acid, 0.08 M BIS-TRIS propane, pH 8.8 |