8GMB

Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 31 2 1
Unit cell lengths	125.718, 125.718, 110.091
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.940 - 3.400
R-factor	0.2727
Rwork	0.272
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.423
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.875	3.533
High resolution limit [Å]	3.194	3.194
Rmerge	0.268	9.606
Rmeas	0.269	9.665
Rpim	0.029	1.059
Number of reflections	11550	577
<I/σ(I)>	17.8	2
Completeness [%]	79.6	13.2
Redundancy	88.5	82.2
CC(1/2)	0.998	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277.15	20% PEG 3350, 0.1M Bis-Tris Propane, 0.2M potassium thiocyanate