4Q5U
Structure of calmodulin bound to its recognition site from calcineurin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 105.499, 111.033, 39.448 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.120 - 1.950 |
| R-factor | 0.2165 |
| Rwork | 0.215 |
| R-free | 0.24840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w73 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.972 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.120 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.098 | 0.375 |
| Number of reflections | 15779 | |
| <I/σ(I)> | 14.4 | 3.4 |
| Completeness [%] | 91.1 | 69.6 |
| Redundancy | 5.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 3:1 10 mg/ml protein to mother liquor (24% PEG1000, 20% glycerol), final volume 200 nL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
