8R4V

Structure of Salt-inducible kinase 3 in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 31
Unit cell lengths	104.251, 104.251, 95.618
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.645 - 1.900
Rwork	0.204
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.171
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.645	2.130
High resolution limit [Å]	1.900	1.900
Number of reflections	55296	2764
<I/σ(I)>	10.6
Completeness [%]	60.4
Redundancy	4.3
CC(1/2)	0.997	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	37.5% Precipitant mix 4 (12.5% MPD, 12.5% PEG 1000, 12.5% PEG 3350), 0.12 M Monosaccharides mix (0.02 M D-Glucose, 0.02 M D-Mannose, 0.02 M D-Galactose, 0.02 M L-Fucose, 0.02 M D-Xylose, 0.02 M N-Acetyl-D-Glucosamine) and 0.1 M Buffer system 3, pH 8.5 (Tris (Base), Bicine)