2B55

Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	1998-08-15
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 21
Unit cell lengths	71.980, 72.200, 53.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 1.850
Rwork	0.213
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNX (2002)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.065	0.541
Number of reflections	31367
<I/σ(I)>	27.1	2.7
Completeness [%]	99.9	99.7
Redundancy	6.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	100mM HEPES pH 7.4, 50mM Ammonium Acetate, 2mM DTT, 4-14% PEG 4000 , VAPOR DIFFUSION, SITTING DROP, temperature 291K