3QGW

Crystal Structure of ITK kinase bound to an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	273
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.488
Spacegroup name	C 1 2 1
Unit cell lengths	125.860, 74.380, 78.830
Unit cell angles	90.00, 94.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.245
Rwork	0.245
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	38981
Completeness [%]	91.4	91.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1