2X2L

Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-27
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	71.999, 70.685, 71.573
Unit cell angles	90.00, 110.35, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.214
Rwork	0.211
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ivt FLEXIBLE LOOPS REMOVED
RMSD bond length	0.015
RMSD bond angle	1.678
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.120	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.510
Number of reflections	20421
<I/σ(I)>	9.09	0.79
Completeness [%]	89.5	54.6
Redundancy	3.48	2.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	PROTEIN 4.5 MG/ML IN 20 MM TRIS-HCL PH 8, 100MM NACL,1MM DTT, 1MM EDTA RESERVOIR 1.85 M SODIUM FORMATE, 0.1 SODIUM CITRATE PH 5.5, 0.2M LITHIUM CHLORIDE VAPOUR DIFFUSION, SITTING DROP,289 K