2IVV

Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1

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	2006-05-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	71.641, 70.955, 78.685
Unit cell angles	90.00, 101.79, 90.00

Refinement procedure

Resolution	25.670 - 2.250
R-factor	0.187
Rwork	0.185
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE PART-REFINED STRUCTURE OF RET KINASE DOMAIN
RMSD bond length	0.017
RMSD bond angle	1.535
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]	26.100	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.060	0.200
Number of reflections	18394
<I/σ(I)>	10.6	3.9
Completeness [%]	99.8	99.8
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	PROTEIN 1.5 MG/ML IN 20 MM TRIS-HCL PH 8.0, 100MM NACL, 1MM DTT, 1MM EDTA, 1MM SODIUM VANADATE RESERVOIR 2.8 M SODIUM FORMATE, 0.1 M SODIUM CITRATE PH 4.5, 0.2M LITHIUM CHLORIDE VAPOUR DIFFUSION, SITTING DROP, 289 K