8TXY

X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 61
Unit cell lengths	121.430, 121.430, 99.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.500 - 2.100
R-factor	0.2406
Rwork	0.239
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.050	2.000
Number of reflections	48682	7948
<I/σ(I)>	23.6	1.3
Completeness [%]	100.0	100
Redundancy	10.2	10.2
CC(1/2)	1.000	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	298	24% PEG 400, 150 mM LiSO4, 100 mM MES ph 6.8