9YT9

A428D mutant of Bruton's tyrosine kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-25
Detector	DECTRIS PILATUS4 X 4M
Wavelength(s)	0.96546
Spacegroup name	P 2 21 21
Unit cell lengths	38.057, 71.566, 106.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.770 - 1.800
R-factor	0.2067
Rwork	0.204
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.774
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.770	1.968
High resolution limit [Å]	1.800	1.800
Rpim	0.052	1.086
Number of reflections	27799	11443
<I/σ(I)>	8.4	0.7
Completeness [%]	99.9	99.7
Redundancy	7	7.1
CC(1/2)	0.997	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12.5% MPD, 12.5% PEG 1000, 12.5% PEG 3350, 20 mM D-Glucose, 20 mM D-Mannose, 20 mM D-Galactose, 20 mM L-Fucose, 20 mM D-Xylose, 20 mM N-Acetyl-D-Glucosamine, 100 mM Tris, 100 mM BICINE