4RX9

SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 21 21 21
Unit cell lengths	39.978, 85.126, 89.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.560 - 1.750
R-factor	0.175
Rwork	0.174
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.077	0.051	0.635
Number of reflections	31790
<I/σ(I)>	12.4
Completeness [%]	99.9	99.2	100
Redundancy	4.8	4.5	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	20% PEG 3350, 0.2M ammonium formate, pH 6.0, vapor diffusion, temperature 293K