5P9F

BTK IN COMPLEX WITH GDC-0834

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	2011-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	72.911, 103.931, 38.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.660 - 1.710
Rwork	0.150
R-free	0.22300
Structure solution method	OTHER
RMSD bond length	0.009
RMSD bond angle	1.275
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.660	1.960
High resolution limit [Å]	1.710	1.710
Rmerge	0.108	0.525
Number of reflections	32560
<I/σ(I)>	12.12	45.48
Completeness [%]	99.7	99.7
Redundancy	5.7	5.4

Crystallization Conditions

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