6OJP
Structure of glycolipid alpha-GSA[8,6P] in complex with mouse CD1d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.891, 105.666, 106.672 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.610 - 2.170 |
R-factor | 0.2124 |
Rwork | 0.211 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q7y |
RMSD bond length | 0.003 |
RMSD bond angle | 1.214 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.250 |
High resolution limit [Å] | 2.170 | 4.670 | 2.170 |
Rmerge | 0.079 | 0.043 | 0.436 |
Rmeas | 0.090 | 0.048 | 0.510 |
Rpim | 0.041 | 0.021 | 0.257 |
Number of reflections | 23559 | 2653 | 2158 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 89.9 | 94.3 | 84.5 |
Redundancy | 4.1 | 4.8 | 3.2 |
CC(1/2) | 0.998 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG3350, 8% Tacsimate, pH 4.0 |