7BF2
Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.695, 24.530, 60.349 |
| Unit cell angles | 90.00, 104.84, 90.00 |
Refinement procedure
| Resolution | 34.346 - 1.430 |
| Rwork | 0.201 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2l7l |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.762 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.346 | 1.481 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.051 | 1.506 |
| Number of reflections | 27542 | 2526 |
| <I/σ(I)> | 14.6 | 0.96 |
| Completeness [%] | 97.1 | 91.07 |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.515 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 25% PEG 1500, 0.1 M SPG buffer pH 4-5. CaM-CKBpeptide ratios of 1:4 |
