1XA5
Structure of Calmodulin in complex with KAR-2, a bis-indol alkaloid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.813 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 37.573, 37.573, 356.662 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.120 |
| R-factor | 0.21992 |
| Rwork | 0.218 |
| R-free | 0.26105 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | C-terminal domain of pdb entry 1lin truncated to poly-ALA |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.232 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.077 | 0.306 |
| Number of reflections | 9429 | |
| <I/σ(I)> | 23.39 | 8 |
| Completeness [%] | 98.7 | 88.7 |
| Redundancy | 13.5 | 9.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 279 | CaCl2, MgCl2, cacodylate, PEG 8000, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
