5TW2
Structure of mouse CD1d with bound alpha-galactosylsphingamide JG168
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.15 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.203, 107.466, 109.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.200 - 1.750 |
| R-factor | 0.2032 |
| Rwork | 0.203 |
| R-free | 0.22134 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q7y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.329 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.061 | 0.034 | 0.509 |
| Rmeas | 0.069 | ||
| Rpim | 0.033 | ||
| Total number of observations | 219721 | ||
| Number of reflections | 51068 | ||
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 99.7 | 98.8 | 100 |
| Redundancy | 4.3 | 4.3 | 4.3 |
| CC(1/2) | 0.998 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 20% PEG 4000, 8% Tacsimate |
