6OOR
Structure of 1B1 bound to mouse CD1d
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 | 2018-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.051, 160.964, 165.422 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.130 - 2.450 |
| R-factor | 0.2092 |
| Rwork | 0.208 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 2Q7Y & 3UBX |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.364 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 5.270 | 2.450 |
| Rmerge | 0.074 | 0.050 | 0.565 |
| Rmeas | 0.081 | 0.055 | 0.620 |
| Rpim | 0.031 | 0.022 | 0.250 |
| Total number of observations | 274054 | ||
| Number of reflections | 41732 | 4370 | 4082 |
| <I/σ(I)> | 5.4 | ||
| Completeness [%] | 99.7 | 99.5 | 98.5 |
| Redundancy | 6.6 | 6.4 | 5.9 |
| CC(1/2) | 0.989 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 12% PEG20000, 100 mM MES, pH 6.5 |
