6NH9

Crystal structure of a human calcium/calmodulin dependent serine protein kinase (CASK) PDZ domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2014-09-23
Detector	RDI CMOS_8M
Wavelength(s)	1.0003
Spacegroup name	C 1 2 1
Unit cell lengths	61.052, 35.400, 119.487
Unit cell angles	90.00, 90.31, 90.00

Refinement procedure

Resolution	59.743 - 1.850
R-factor	0.2278
Rwork	0.226
R-free	0.26300
RMSD bond length	0.006
RMSD bond angle	0.574
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.770	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.021	0.284
Rmeas	0.030	0.402
Rpim	0.021	0.284
Number of reflections	20769	1910
<I/σ(I)>	10.4	2.1
Completeness [%]	93.7	93.7
Redundancy	1.8	1.7
CC(1/2)	0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	291	30% v/v PEG 400 0.1M CAPS