6HTF

Crystal structure of human Btk SH2 domain bound to rF10 repebody

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	2018-07-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	145.521, 32.947, 80.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.564 - 2.102
R-factor	0.2144
Rwork	0.210
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SH2 domain (Chain A) was based in an homology model generated using 2GE9 2EU0 and 3S9K. The repebody (chain B) initial model was 5B4P
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((v1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.564	2.230
High resolution limit [Å]	2.102	2.102
Rmeas	0.102	0.810
Number of reflections	43493	7027
<I/σ(I)>	12.99
Completeness [%]	99.7	99.5
Redundancy	3.89	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	Morpheus B12 BUFFER 0.09M Halogens 0,1M Buffer 3 pH 8.5 50% precipitant 4