3IG7

Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.343, 70.994, 71.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.670 - 1.800
R-factor	0.209
Rwork	0.208
R-free	0.25731
Structure solution method	FOURIER SYNTHESIS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.697
Number of reflections	25483
<I/σ(I)>	17.05	1.66
Completeness [%]	98.2	97.4
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1