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 |