8WYW

Crystal structure of spleen tyrosine kinase (SYK) in complex with SKI-O-592 (free form of SKI-O-703, cevidoplenib)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	39.719, 39.602, 88.355
Unit cell angles	90.03, 90.03, 94.81

Refinement procedure

Resolution	44.180 - 1.900
R-factor	0.202
Rwork	0.200
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.893
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	39698	1845
<I/σ(I)>	22.94
Completeness [%]	94.4
Redundancy	3.4
CC(1/2)	0.877	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM Sodium-HEPES 7.0, 15%(v/v)PEG 4000