8H7F

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-09-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 2 21 21
Unit cell lengths	56.502, 104.976, 132.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.988 - 2.450
R-factor	0.205814881714
Rwork	0.204
R-free	0.23415
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w7y
RMSD bond length	0.003
RMSD bond angle	0.684
Data reduction software	HKL-3000
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.250	2.196
High resolution limit [Å]	2.120	2.120
Number of reflections	46218	46218
<I/σ(I)>	9.3
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	0.996	0.640

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.