6CX9
Structure of alpha-GSA[16,6P] 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 | 2017-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 78.891, 190.130, 151.043 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.360 |
R-factor | 0.1935 |
Rwork | 0.192 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3quz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.275 |
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] | 40.000 | 40.000 | 2.430 |
High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
Rmerge | 0.089 | 0.069 | 0.449 |
Rmeas | 0.101 | 0.077 | 0.510 |
Rpim | 0.045 | 0.034 | 0.231 |
Number of reflections | 43262 | 4291 | 4324 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 92.6 | 87.5 | 93.7 |
Redundancy | 4.2 | 4.2 | 4.3 |
CC(1/2) | 0.992 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 12% PEG 3350, 0.1M sodium malonate pH 4.0 |