5JZN

Crystal structure of DCLK1-KD in complex with NVP-TAE684

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 61
Unit cell lengths	106.360, 106.360, 157.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.180 - 2.850
R-factor	0.1831
Rwork	0.181
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jzj
RMSD bond length	0.008
RMSD bond angle	1.455
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.830	59.830	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge	0.195	0.098	0.845
Rmeas	0.216	0.108	0.934
Rpim	0.092	0.046	0.396
Total number of observations	126565	4242	18707
Number of reflections	23585
<I/σ(I)>	7.3	15.5	2.3
Completeness [%]	100.0	99.7	100
Redundancy	5.4	5.5	5.5
CC(1/2)	0.982	0.990	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	298	PEG400, Hepes