1Z5L
Structure of a highly potent short-chain galactosyl ceramide agonist bound to CD1D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2004-12-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.451, 77.045, 111.014 |
| Unit cell angles | 90.00, 107.63, 90.00 |
Refinement procedure
| Resolution | 39.680 - 2.200 |
| R-factor | 0.24321 |
| Rwork | 0.242 |
| R-free | 0.29368 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cd1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.848 |
| Data reduction software | HKL-2000 |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 48471 | |
| <I/σ(I)> | 20.8 | 2 |
| Completeness [%] | 86.9 | |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | PEG 4000, calcium acetate, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K |
