8BFM
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999990 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 57.531, 44.800, 108.589 |
| Unit cell angles | 90.00, 104.26, 90.00 |
Refinement procedure
| Resolution | 44.950 - 1.700 |
| R-factor | 0.2012 |
| Rwork | 0.200 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t29 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.318 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.950 | 44.900 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.037 | 0.024 | 0.778 |
| Rmeas | 0.040 | 0.026 | 0.839 |
| Rpim | 0.015 | 0.010 | 0.311 |
| Total number of observations | 1429 | 10791 | |
| Number of reflections | 28529 | 219 | 1507 |
| <I/σ(I)> | 21.5 | 60.4 | 2.5 |
| Completeness [%] | 96.3 | 98.2 | 96.5 |
| Redundancy | 7 | 6.5 | 7.2 |
| CC(1/2) | 0.999 | 0.999 | 0.899 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0,1M NaCit, pH 5.9 2,05M AmmSO4 0,1M Na/K tartrate |
