8I7Z

The crystal structure of human abl1 kinase domain in complex with ABL1-B5

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 21 21 2
Unit cell lengths	104.603, 133.370, 56.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.685 - 2.255
R-factor	0.176724497406
Rwork	0.175
R-free	0.21341
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.674
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]	66.690	2.300
High resolution limit [Å]	2.250	2.250
Number of reflections	60553	60553
<I/σ(I)>	1.31
Completeness [%]	99.1
Redundancy	7.4
CC(1/2)	0.992	0.992

Crystallization Conditions

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