4XG6

Crystal structure of an inhibitor-bound Syk

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1.2398
Spacegroup name	P 1 21 1
Unit cell lengths	39.933, 88.267, 41.078
Unit cell angles	90.00, 91.37, 90.00

Refinement procedure

Resolution	44.130 - 2.400
R-factor	0.19175
Rwork	0.190
R-free	0.23015
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xg2
RMSD bond length	0.008
RMSD bond angle	1.337
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	10345
<I/σ(I)>	33.21
Completeness [%]	92.7
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	278	10~20%(v/v) PEG3350, 100 mM Tris-HCl