7BF1
Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase 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 ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972424 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 24.411, 59.534, 52.477 |
| Unit cell angles | 90.00, 98.34, 90.00 |
Refinement procedure
| Resolution | 39.161 - 1.240 |
| Rwork | 0.135 |
| R-free | 0.18630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2l7l |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.815 |
| 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] | 39.161 | 1.284 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.088 | 1.608 |
| Number of reflections | 41629 | 4151 |
| <I/σ(I)> | 9.76 | |
| Completeness [%] | 97.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.998 | 0.471 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 1500, 0.1 M SPG buffer pH 4-5. CaM-CKBpeptide ratios of 1:4 |
