4XG3

Crystal structure of an inhibitor-bound Syk

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	40.163, 42.326, 87.457
Unit cell angles	99.73, 90.83, 100.30

Refinement procedure

Resolution	43.050 - 2.300
R-factor	0.19916
Rwork	0.198
R-free	0.22591
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xba
RMSD bond length	0.007
RMSD bond angle	1.201
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	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	24472
<I/σ(I)>	24.13
Completeness [%]	98.3
Redundancy	3.9

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