4YJP

THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223

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	38.912, 84.912, 39.845
Unit cell angles	90.00, 100.14, 90.00

Refinement procedure

Resolution	20.000 - 1.830
R-factor	0.1956
Rwork	0.192
R-free	0.25760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	In-house SYK model
RMSD bond length	0.010
RMSD bond angle	1.419
Data reduction software	MOSFLM (6.2.4)
Data scaling software	SCALA (3.2.5)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.810	42.448	1.930
High resolution limit [Å]	1.830	5.790	1.830
Rmerge	0.054	0.030	0.477
Total number of observations	84433	2361	12164
Number of reflections	22453
<I/σ(I)>	15.5	36.1	2.4
Completeness [%]	99.8	92.1	100
Redundancy	3.8	3.5	3.7

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