6T29
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.95372 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 57.820, 45.640, 108.754 |
Unit cell angles | 90.00, 104.18, 90.00 |
Refinement procedure
Resolution | 55.448 - 1.484 |
Rwork | 0.136 |
R-free | 0.17470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jc6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.409 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.450 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rpim | 0.026 | 0.155 |
Number of reflections | 44955 | 14295 |
<I/σ(I)> | 14.8 | 4.2 |
Completeness [%] | 98.7 | 98.3 |
Redundancy | 6.3 | 6.6 |
CC(1/2) | 0.999 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0,1M NaCit, pH 5.9 2,05M AmmSO4 0,1M Na/K tartrate |