6NID

Crystal structure of a human calcium/calmodulin dependent serine protein kinase (CASK) PDZ domain in complex with Neurexin-1 peptide

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	2015-05-12
Detector	RDI CMOS_8M
Wavelength(s)	1.0003
Spacegroup name	P 1 21 1
Unit cell lengths	36.328, 51.177, 72.412
Unit cell angles	90.00, 97.72, 90.00

Refinement procedure

Resolution	41.666 - 1.860
R-factor	0.1942
Rwork	0.192
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nh9
RMSD bond length	0.005
RMSD bond angle	0.673
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]	51.180	1.960
High resolution limit [Å]	1.860	1.860
Rmerge	0.058	0.372
Rmeas	0.081	0.519
Rpim	0.056	0.361
Number of reflections	21400	2574
<I/σ(I)>	13.2	2
Completeness [%]	96.1	80.4
Redundancy	3.3	2.5
CC(1/2)	0.997	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.01M tri-sodium citrate 33% (w/v) PEG 6000