3IF7
Structure of Calmodulin complexed with its first endogenous inhibitor, sphingosylphosphorylcholine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 39.669, 39.669, 170.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.390 - 1.600 |
| R-factor | 0.19459 |
| Rwork | 0.192 |
| R-free | 0.23825 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | N- and C-terminal domains of PDB entry 1LIN |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.085 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.105 | 0.446 |
| Number of reflections | 21596 | |
| <I/σ(I)> | 12.3 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.6 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 50mM sodium cacodylate, 10mM CaCl2, 10mM MgCl2, 28% PEG 8000: Mixed with 10mM lipid in methanol solution and 1mM protein solution, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
