6Z0P

BceF Tyrosine Kinase Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8729
Spacegroup name	P 1 21 1
Unit cell lengths	44.270, 90.480, 61.340
Unit cell angles	90.00, 111.11, 90.00

Refinement procedure

Resolution	48.360 - 1.850
R-factor	0.1835
Rwork	0.182
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cio
RMSD bond length	0.005
RMSD bond angle	1.272
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.360	48.360	2.200
High resolution limit [Å]	1.850	30.000	1.850
Rmerge	0.095	0.020	0.473
Rmeas	0.112	0.026	0.551
Total number of observations	142307
Number of reflections	38309	9	15478
<I/σ(I)>	9.55	23.85	2.73
Completeness [%]	99.4	90	99.5
Redundancy	3.715	1.778	3.762
CC(1/2)	0.997	0.997	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Reservoir contained 0.1M Bis-Tris pH 5.5, 25% polyethylene glycol 3350, 3% MPD