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 |