4DFL

Crystal structure of spleen tyrosine kinase complexed with a sulfonamidopyrazine piperidine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PILATUS 6M
Detector	DECTRIS
Spacegroup name	P 21 21 21
Unit cell lengths	40.028, 85.004, 90.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.020 - 1.980
R-factor	0.19921
Rwork	0.196
R-free	0.24304
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.020	2.040
High resolution limit [Å]	1.950	1.980
Rmerge	0.050	0.764
Number of reflections	22265
Completeness [%]	99.6	98.4
Redundancy	8	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1