6O8I

BTK In Complex With Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	72.131, 105.334, 38.052
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.790 - 1.420
R-factor	0.195
Rwork	0.192
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.510	1.670
High resolution limit [Å]	1.420	1.420
Rmerge	0.051	0.444
Number of reflections	53282	20521
<I/σ(I)>	11.2	2.1
Completeness [%]	95.8	97
Redundancy	2.3	2.3
CC(1/2)	0.999	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	Unkown