6EDF

Fragment of a tyrosine-protein kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-12
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	23.991, 36.233, 38.646
Unit cell angles	90.00, 99.52, 90.00

Refinement procedure

Resolution	26.270 - 1.400
R-factor	0.1448
Rwork	0.143
R-free	0.17210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uf4
RMSD bond length	0.016
RMSD bond angle	1.848
Data reduction software	XDS (0.7.2)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.230	36.230	1.420
High resolution limit [Å]	1.400	7.540	1.400
Rmerge	0.053	0.026	0.400
Rmeas	0.063	0.031	0.487
Rpim	0.032	0.017	0.272
Total number of observations	47091	303	1743
Number of reflections	12781
<I/σ(I)>	16.5	41.9	3.3
Completeness [%]	98.4	98.1	87.7
Redundancy	3.7	3.3	3.1
CC(1/2)	0.999	0.998	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 0.2 M magnesium acetate