8I7S

The crystal structure of human abl1 kinase domain in complex with ABL1-B1

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	2022-09-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	104.461, 132.635, 56.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.715 - 1.946
R-factor	0.186216017816
Rwork	0.185
R-free	0.21563
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.090
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]	40.720	2.020
High resolution limit [Å]	1.940	1.950
Number of reflections	57806	57806
<I/σ(I)>	7.25
Completeness [%]	99.5
Redundancy	4.6
CC(1/2)	0.996	0.745

Crystallization Conditions

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