2ABL

SH3-SH2 DOMAIN FRAGMENT OF HUMAN BCR-ABL TYROSINE KINASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1993-11
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	65.620, 45.850, 54.450
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.183
Rwork	0.183
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ABL SH3 SRC SH2
RMSD bond length	0.018
RMSD bond angle	26.500 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.048 *	0.140 *
Total number of observations	19460 *
Number of reflections	5585
Completeness [%]	99.3	98
Redundancy	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		drop solution was mixed with an equal volume of mother liquor *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	reservoir		2 (M)
3	1	reservoir		5 (mM)
4	1	reservoir	HEPES	100 (mM)