4Y93

Crystal structure of the PH-TH-kinase construct of Bruton's tyrosine kinase (Btk)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	38.328, 78.647, 157.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.678 - 1.695
R-factor	0.1585
Rwork	0.157
R-free	0.19480
RMSD bond length	0.008
RMSD bond angle	1.156
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.695	3.660	1.695
Rmerge	0.121	0.066	0.776
Rmeas	0.129	0.071	0.832
Rpim	0.045	0.024	0.293
Total number of observations	414976
Number of reflections	53359
<I/σ(I)>	9.8
Completeness [%]	99.2	100	98.7
Redundancy	7.9	8.2	7.5
CC(1/2)		0.997	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM NaCl, 50mM MgCl2, 20% PEG3350, 1mM IP3