3FQS

Crystal structure of spleen tyrosine kinase complexed with R406

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	39.971, 85.079, 91.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.520 - 2.100
R-factor	0.21791
Rwork	0.216
R-free	0.25327
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1xbb
RMSD bond length	0.008
RMSD bond angle	1.064
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	16386
<I/σ(I)>	9.1	1.8
Completeness [%]	87.0	55.3
Redundancy	4.7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	283	24% PEG 4000, 0.2M AMMONIUM SULFATE, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K