2E2B

Crystal structure of the c-Abl kinase domain in complex with INNO-406

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32B2
Synchrotron site	SPring-8
Beamline	BL32B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-12-16
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	F 2 2 2
Unit cell lengths	110.820, 147.580, 152.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
Rwork	0.236
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iep
RMSD bond length	0.008
RMSD bond angle	1.295
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNX
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	31382
Completeness [%]	98.6	98
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.1M MES, 25% PEG 4000, 0.3M magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K