6CW9
Structure of alpha-GC[8,16P] 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 | 2017-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.223, 192.026, 151.113 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.500 - 2.000 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.22080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q7y |
RMSD bond length | 0.009 |
RMSD bond angle | 1.357 |
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] | 50.010 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.085 | 0.051 | 0.566 |
Rmeas | 0.091 | 0.056 | 0.613 |
Rpim | 0.033 | 0.021 | 0.231 |
Number of reflections | 77934 | 4130 | 3857 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 99.5 | 99.3 | 99.5 |
Redundancy | 7.3 | 7.3 | 6.8 |
CC(1/2) | 0.978 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.1 | 295 | 0.06M Citric acid, 0.04M BIS-TRIS propane, 16% PEG 3350, pH 4.1 |