8BFS
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
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 | 57.809, 45.948, 108.535 |
| Unit cell angles | 90.00, 103.96, 90.00 |
Refinement procedure
| Resolution | 42.150 - 1.950 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t29 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.508 |
| 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] | 42.150 | 42.120 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.090 | 0.031 | 0.618 |
| Rmeas | 0.097 | 0.033 | 0.669 |
| Rpim | 0.037 | 0.013 | 0.253 |
| Total number of observations | 1487 | 7813 | |
| Number of reflections | 19398 | 229 | 1159 |
| <I/σ(I)> | 15.2 | 47.5 | 3.4 |
| Completeness [%] | 95.5 | 98.3 | 79.2 |
| Redundancy | 7 | 6.5 | 6.7 |
| CC(1/2) | 0.999 | 0.999 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0,1M NaCit, pH 5.9 2,1 M AmmSO4 0,1M Na/K tartrate |
