2QOH

Crystal Structure of Abl kinase bound with PPY-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	74.008, 59.128, 75.938
Unit cell angles	90.00, 118.39, 90.00

Refinement procedure

Resolution	50.000 - 1.950
Rwork	0.214
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gqg
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.083	0.324
Number of reflections	42995
<I/σ(I)>	20
Completeness [%]	93.8	71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	277	30% PEG 4K, 0.1M Tris, 0.2M sodium acetate, pH 8.5, EVAPORATION, temperature 277K