5P9L

BTK1 IN COMPLEX WITH CC 292

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	72.022, 104.681, 38.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.310 - 1.250
R-factor	0.2657
Rwork	0.265
R-free	0.28030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.865
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.341	42.341	1.330
High resolution limit [Å]	1.250	3.740	1.250
Rmerge	0.077	0.045	0.519
Rmeas	0.085	0.050	0.576
Total number of observations	470219
Number of reflections	77508	3265	10755
<I/σ(I)>	11.8	32.7	2.65
Completeness [%]	95.8	99.4	83.2
CC(1/2)	0.997	0.997	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	PEG 3350, sodium actate, BisTrisPropane