8H7H

The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-09-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 2 21 21
Unit cell lengths	56.766, 104.777, 133.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.194 - 2.278
R-factor	0.184642829412
Rwork	0.182
R-free	0.22055
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w7y
RMSD bond length	0.003
RMSD bond angle	0.701
Data reduction software	HKL-3000
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692+SVN)

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	34902	34902
<I/σ(I)>	17
Completeness [%]	99.9
Redundancy	7.4
CC(1/2)	0.992	0.983

Crystallization Conditions

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