8I7T

The crystal structure of human abl1 kinase domain in complex with ABL1-B4

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	133.155, 106.109, 56.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.146 - 2.800
R-factor	0.221110577747
Rwork	0.216
R-free	0.27151
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.753
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]	19.150	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	20126	20126
<I/σ(I)>	4.45
Completeness [%]	99.7
Redundancy	4.6
CC(1/2)	0.919	0.448

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