6MNY

Crystal structure of mouse BTK kinase domain in complex with compound 9a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	173
Detector technology	PIXEL
Collection date	2017-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	37.945, 63.515, 70.005
Unit cell angles	76.77, 85.27, 78.13

Refinement procedure

Resolution	68.100 - 2.800
R-factor	0.199
Rwork	0.196
R-free	0.25700
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	BUSTER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.100	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.147	0.467
Number of reflections	16257	2364
<I/σ(I)>	6.3
Completeness [%]	96.8	96.1
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	12% PEG 3350, 0.1 M Bis-Tris pH 6.0, 0.1 M sodium malonate