3EKN

Insulin receptor kinase complexed with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2007-03-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	58.092, 69.522, 89.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.050 - 2.200
R-factor	0.21378
Rwork	0.211
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p14
RMSD bond length	0.009
RMSD bond angle	1.260
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.050	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.059	0.200
Number of reflections	15718
<I/σ(I)>	24	7.3
Completeness [%]	86.8	48
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.1 M MOPS, 1.0 M Na3citrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K