2X2M

Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-08-03
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	50.697, 50.760, 74.588
Unit cell angles	103.50, 99.66, 89.92

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.20327
Rwork	0.201
R-free	0.24162
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ivt FLEXIBLE LOOPS REMOVED
RMSD bond length	0.014
RMSD bond angle	1.562
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]	18.990	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.040	0.110
Number of reflections	23524
<I/σ(I)>	11.9	6.6
Completeness [%]	95.4	93.9
Redundancy	2.2	2.21

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 1.75 M SODIUM FORMATE, 0.1 SODIUM CITRATE PH 5.5, 0.15 M POTASSIUM THIOCYANATE VAPOUR DIFFUSION, SITTING DROP, 289 K