2HIW

Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II 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]	200
Detector technology	CCD
Collection date	2004-12-09
Detector	ADSC QUANTUM 4
Spacegroup name	P 41
Unit cell lengths	41.485, 41.485, 332.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.040 - 2.200
R-factor	0.246
Rwork	0.243
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iep
RMSD bond length	0.009
RMSD bond angle	1.530
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.045
High resolution limit [Å]	2.200	2.200
Number of reflections	22256
<I/σ(I)>	31.4	5
Completeness [%]	81.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	298	18-20% PEG4000, 100mM MES pH5.5, 200mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50