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 |