7W7Y

The crystal structure of human abl1 kinase domain in complex with ABL2-A5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-25
Detector	APEX II CCD
Wavelength(s)	0.9876
Spacegroup name	P 2 21 21
Unit cell lengths	56.519, 105.348, 132.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.967 - 2.200
R-factor	0.176239907134
Rwork	0.175
R-free	0.20124
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gqg
RMSD bond length	0.007
RMSD bond angle	1.125
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.970	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	40910	4020
<I/σ(I)>	21.4
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.999	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.5 M (NH4)2 SO4, 0.1M HEPES (pH 7.0) and 4%(v/v) 1,3-Propanediol.