4YJU

THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97935
Spacegroup name	P 1 21 1
Unit cell lengths	39.299, 87.233, 40.077
Unit cell angles	90.00, 92.15, 90.00

Refinement procedure

Resolution	29.500 - 1.670
R-factor	0.1683
Rwork	0.167
R-free	0.20090
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	In-house SYK model
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	MOSFLM (6.2.4)
Data scaling software	SCALA (3.2.5)
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.501	43.602	1.670
High resolution limit [Å]	1.580	5.000	1.580
Rmerge	0.077	0.060	0.477
Total number of observations	117816	3523	17016
Number of reflections	36909
<I/σ(I)>	12.3	30.3	2.7
Completeness [%]	99.9	96.5	100
Redundancy	3.2	3.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	30% Jeffamine ED-2001, 10% Glycerol, 0.1M MES pH6.8, 5mM TCEP