2X2K

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	2007-07-29
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	71.600, 70.912, 78.871
Unit cell angles	90.00, 101.68, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.194
Rwork	0.191
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ivt FLEXIBLE LOOPS REMOVED
RMSD bond length	0.016
RMSD bond angle	1.632
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]	21.640	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.060	0.230
Number of reflections	11886
<I/σ(I)>	17	5.2
Completeness [%]	99.1	100
Redundancy	3.1	3

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