7W7X

The crystal structure of human abl1 kinase domain in complex with ABL1-A11

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	2021-10-25
Detector	APEX II CCD
Wavelength(s)	0.9876
Spacegroup name	P 2 21 21
Unit cell lengths	56.408, 104.878, 132.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.236 - 2.000
R-factor	0.16930251585
Rwork	0.168
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gqg
RMSD bond length	0.008
RMSD bond angle	1.168
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.065
Number of reflections	54422	3811
<I/σ(I)>	22.4
Completeness [%]	100.0
Redundancy	13
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.0 M (NH4)2SO4 and 0.1 M HEPES (pH 7.0).