9ZQV

Crystal structure of wild-type Bruton's Tyrosine Kinase (BTK) in the apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	38.100, 76.920, 106.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.650 - 1.500
R-factor	0.1832
Rwork	0.182
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.756
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.650	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	50088	3600
<I/σ(I)>	9.1
Completeness [%]	98.6
Redundancy	9.1
CC(1/2)	0.997	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, 0.1 M MES/imidazole pH 6.5