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