4YJQ

SYK kinase domain in complex with inhibitor GTC000224

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 1 21 1
Unit cell lengths	39.402, 86.841, 40.236
Unit cell angles	90.00, 93.42, 90.00

Refinement procedure

Resolution	29.480 - 1.340
R-factor	0.1622
Rwork	0.161
R-free	0.18350
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	In-house SYK model
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]	29.488	29.488	1.340
High resolution limit [Å]	1.270	4.020	1.270
Rmerge	0.050	0.035	0.497
Total number of observations	261221	7953	37125
Number of reflections	70711
<I/σ(I)>	14.1	35.5	2.4
Completeness [%]	99.6	98.4	99
Redundancy	3.7	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	30% Jeffamine ED-2001, 10% Glycerol, 0.1M MES pH6.0, 5mM TCEP