8XQ2

Crystal structure of spleen tyrosine kinase(SYK)in complex with SKI-G-1693

This is a non-PDB format compatible entry.

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	2016-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999
Spacegroup name	P 1
Unit cell lengths	39.949, 41.183, 87.351
Unit cell angles	98.96, 90.99, 100.69

Refinement procedure

Resolution	39.930 - 1.800
R-factor	0.2058
Rwork	0.204
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.742
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	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	48626	4695
<I/σ(I)>	2.67
Completeness [%]	96.7
Redundancy	3.5
CC(1/2)	0.913	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M tris-HCl pH 8.5, 10% PEG 3350