6C5M
Structure of glycolipid aGSA[8,9] 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 | 2014-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.576, 98.348, 55.399 |
| Unit cell angles | 90.00, 106.31, 90.00 |
Refinement procedure
| Resolution | 39.900 - 2.450 |
| R-factor | 0.2016 |
| Rwork | 0.199 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q7y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.352 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.510 |
| High resolution limit [Å] | 2.450 | 6.040 | 2.450 |
| Rmerge | 0.056 | 0.042 | 0.193 |
| Rmeas | 0.067 | 0.050 | 0.243 |
| Rpim | 0.037 | 0.028 | 0.145 |
| Total number of observations | 39791 | ||
| Number of reflections | 14690 | 1013 | 774 |
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 93.0 | 93.7 | 75.7 |
| Redundancy | 2.7 | 2.9 | 2 |
| CC(1/2) | 0.992 | 0.951 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 8% Tacsimate, 20% PEG 3350 |
