8XQ0

Crystal structure of spleen tyrosine kinase(SYK)in complex with SKI-G-1653

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)	0.9796
Spacegroup name	P 1
Unit cell lengths	38.759, 85.262, 79.573
Unit cell angles	90.00, 85.19, 90.03

Refinement procedure

Resolution	39.650 - 1.950
R-factor	0.2217
Rwork	0.219
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.773
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	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	67414	4052
<I/σ(I)>	13.5
Completeness [%]	91.9
Redundancy	3.3
CC(1/2)	0.871	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES pH 7.0, 10% PEG 6000